MacWorld 1997 September

home *** CD-ROM | disk | FTP | other *** search
/ MacWorld 1997 September / Macworld (1997-09).dmg / Serious Software / Cherwell Scientific Demos / gNMR□□ / gNMR Guide < prev next >
MacBinary | 1996-06-23 | 153.6 KB | [poco/reno]
open in:
MacOS 8.1 extracted |
Win98 extracted |
DOS extracted
view JSON data |
view as text

This file was processed as: MacBinary (archive/macBinary).

You can browse this item here: gNMR Guide
Confidence	Program	Detection	Match Type	Support
`10%`	dexvert	MacBinary `(archive/macBinary)`	fallback	Supported
`100%`	file	MacBinary II, inited, Fri May 26 19:09:15 1995, modified Sun Jun 23 10:44:12 1996, creator 'reno', type 'poco', 84992 bytes "gNMR Guide" aria2 control file, version 1, piece length 0x0, total length 46161896182513704, upload length 0xa000000000000, 0xa60000 bytes bitfield 0x2000000a2..., at 0x14c80 72175 bytes resource DIY-Thermocam raw data (Lepton 3.x), scale 512-1024, spot sensor temperature 0.000000, unit celsius, color scheme 0, calibration: offset -0.000000, slope 36893488147419103232.000000	default (weak)
`99%`	file	data	default
`100%`	TrID	MacBinary 2	default (weak)
`100%`	siegfried	fmt/1762 MacBinary (II)	default
`100%`	lsar	MacBinary	default
id metadata
key	value
macFileType	`[poco]`
macFileCreator	`[reno]`
hex view
+--------+-------------------------+-------------------------+--------+--------+
|00000000| 00 0a 67 4e 4d 52 20 47 | 75 69 64 65 00 00 00 00 |..gNMR G|uide....|
|00000010| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000020| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000030| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000040| 00 70 6f 63 6f 72 65 6e | 6f 01 00 00 00 00 00 00 |.pocoren|o.......|
|00000050| 00 00 00 00 01 4c 00 00 | 01 19 ef ab ec 10 1b ad |.....L..|........|
|00000060| f3 08 bc 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000070| 00 00 00 00 00 00 00 00 | 00 00 81 81 e8 62 00 00 |........|.....b..|
|00000080| 00 01 00 00 00 00 00 00 | 00 00 00 00 00 00 00 a4 |........|........|
|00000090| 00 00 00 1e 00 28 00 0a | 00 00 00 00 00 00 00 a6 |.....(..|........|
|000000a0| 00 00 00 00 00 02 00 00 | 00 a2 00 01 00 00 0a 67 |........|.......g|
|000000b0| 4e 4d 52 20 47 75 69 64 | 65 00 00 00 00 00 00 00 |NMR Guid|e.......|
|000000c0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000000d0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000000e0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000000f0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000100| 00 00 00 00 00 00 00 00 | 00 00 67 4e 4d 52 00 00 |........|..gNMR..|
|00000110| 00 00 47 44 69 73 70 6c | 61 79 73 20 69 6e 66 6f |..GDispl|ays info|
|00000120| 72 6d 61 74 69 6f 6e 20 | 61 6e 64 20 69 6e 73 74 |rmation |and inst|
|00000130| 72 75 63 74 69 6f 6e 73 | 20 79 6f 75 20 63 61 6e |ructions| you can|
|00000140| 20 75 73 65 20 77 68 69 | 6c 65 20 77 6f 72 6b 69 | use whi|le worki|
|00000150| 6e 67 20 69 6e 20 67 4e | 4d 52 00 00 00 00 00 00 |ng in gN|MR......|
|00000160| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000170| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000180| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000190| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000001a0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000001b0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000001c0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000001d0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000001e0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000001f0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000200| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000210| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000220| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000230| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000240| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000250| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000260| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000270| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000280| 00 02 00 11 00 00 00 00 | 00 00 00 00 00 00 00 13 |........|........|
|00000290| 01 ec 00 00 00 13 01 d9 | 00 00 00 13 01 c6 00 00 |........|........|
|000002a0| 00 23 01 a3 00 00 00 23 | 01 80 00 00 00 0b 01 75 |.#.....#|.......u|
|000002b0| 00 00 00 2d 01 48 00 00 | 00 25 01 23 00 00 00 25 |...-.H..|.%.#...%|
|000002c0| 00 fe 00 00 00 17 00 e7 | 00 00 00 2d 00 ba 00 00 |........|...-....|
|000002d0| 00 07 00 b3 00 00 00 07 | 00 ac 00 00 00 07 00 a5 |........|........|
|000002e0| 00 00 00 07 00 9e 00 00 | 00 1c 00 82 00 00 00 06 |........|........|
|000002f0| 00 7c 00 00 00 00 00 00 | 00 00 00 00 0b bb 00 06 |.|......|........|
|00000300| 00 fc 44 6f 20 74 68 69 | 73 20 73 74 65 70 2c 20 |..Do thi|s step, |
|00000310| 74 68 65 6e 20 63 6c 69 | 63 6b 20 4f 4b 2e d0 d0 |then cli|ck OK...|
|00000320| 45 6e 64 d0 d0 d0 d0 45 | 6e 64 d0 d0 d0 d0 45 6e |End....E|nd....En|
|00000330| 64 d0 d0 d0 d0 45 6e 64 | d0 d0 4d 61 6b 65 20 79 |d....End|..Make y|
|00000340| 6f 75 72 20 63 68 6f 69 | 63 65 2c 20 74 68 65 6e |our choi|ce, then|
|00000350| 20 63 6c 69 63 6b 20 74 | 68 65 20 72 69 67 68 74 | click t|he right|
|00000360| 20 61 72 72 6f 77 2e 54 | 68 69 73 20 77 61 73 20 | arrow.T|his was |
|00000370| 74 68 65 20 6c 61 73 74 | 20 73 74 65 70 2e 46 6f |the last| step.Fo|
|00000380| 72 20 6e 65 78 74 20 73 | 74 65 70 2c 20 63 6c 69 |r next s|tep, cli|
|00000390| 63 6b 20 74 68 65 20 72 | 69 67 68 74 20 61 72 72 |ck the r|ight arr|
|000003a0| 6f 77 2e 46 6f 72 20 6e | 65 78 74 20 73 74 65 70 |ow.For n|ext step|
|000003b0| 2c 20 63 6c 69 63 6b 20 | 74 68 65 20 72 69 67 68 |, click |the righ|
|000003c0| 74 20 61 72 72 6f 77 2e | 4d 61 6b 65 20 79 6f 75 |t arrow.|Make you|
|000003d0| 72 20 63 68 6f 69 63 65 | 2c 20 74 68 65 6e 20 63 |r choice|, then c|
|000003e0| 6c 69 63 6b 20 74 68 65 | 20 72 69 67 68 74 20 61 |lick the| right a|
|000003f0| 72 72 6f 77 2e 2d 2d 2d | 20 45 6e 64 20 2d 2d 2d |rrow.---| End ---|
|00000400| 54 6f 20 63 6f 6e 74 69 | 6e 75 65 2c 20 63 6c 69 |To conti|nue, cli|
|00000410| 63 6b 20 74 68 65 20 72 | 69 67 68 74 20 61 72 72 |ck the r|ight arr|
|00000420| 6f 77 2e 54 6f 20 63 6f | 6e 74 69 6e 75 65 2c 20 |ow.To co|ntinue, |
|00000430| 63 6c 69 63 6b 20 74 68 | 65 20 72 69 67 68 74 20 |click th|e right |
|00000440| 61 72 72 6f 77 2e 73 2a | 2a 2a 68 65 6c 70 73 74 |arrow.s*|**helpst|
|00000450| 61 63 00 00 00 00 00 00 | 00 73 2a 2a 2a 68 65 6c |ac......|.s***hel|
|00000460| 70 67 6f 62 6b 00 00 00 | 00 00 00 00 73 2a 2a 2a |pgobk...|....s***|
|00000470| 68 65 6c 70 64 68 75 68 | 00 00 00 00 00 00 00 00 |helpdhuh|........|
|00000480| 00 00 00 00 00 04 00 00 | 00 00 00 00 00 92 00 09 |........|........|
|00000490| 00 00 00 00 00 00 00 00 | 07 49 2a 3c 30 41 42 41 |........|.I*<0ABA|
|000004a0| 54 31 30 31 33 32 00 00 | 00 05 01 bc 56 30 98 98 |T10132..|....V0..|
|000004b0| 00 00 31 30 31 33 32 05 | a0 44 40 83 98 98 00 00 |..10132.|.D@.....|
|000004c0| 27 10 61 63 51 55 00 00 | 07 49 2a 3c 30 41 42 42 |'.acQU..|.I*<0ABB|
|000004d0| dd dd 01 8e c3 d5 01 92 | 2b 54 00 00 00 00 00 0f |........|+T......|
|000004e0| 7e 40 00 00 00 00 00 00 | 00 00 fe 02 00 00 00 00 |~@......|........|
|000004f0| 27 11 61 63 51 55 00 00 | 07 49 2a 3c 30 41 42 43 |'.acQU..|.I*<0ABC|
|00000500| dd dd 01 8e c3 d5 01 92 | 2b 54 00 00 00 00 00 0f |........|+T......|
|00000510| 7e 40 00 00 00 00 00 00 | 00 00 fe 02 00 00 00 00 |~@......|........|
|00000520| 27 12 61 63 51 55 00 00 | 07 49 2a 3c 30 41 42 44 |'.acQU..|.I*<0ABD|
|00000530| dd dd 01 8e c3 d5 01 92 | 2b 54 00 00 00 00 00 0f |........|+T......|
|00000540| 7e 40 00 00 00 00 00 00 | 00 00 fe 02 00 00 00 00 |~@......|........|
|00000550| 27 13 61 63 51 55 00 00 | 07 49 2a 3c 30 41 42 45 |'.acQU..|.I*<0ABE|
|00000560| dd dd 01 8e c3 d5 01 92 | 2b 54 00 00 00 00 00 0f |........|+T......|
|00000570| 7e 40 00 00 00 00 00 00 | 00 00 fe 02 00 00 00 00 |~@......|........|
|00000580| 27 14 61 63 51 55 00 00 | 07 49 2a 3c 31 41 42 41 |'.acQU..|.I*<1ABA|
|00000590| dd dd 77 73 c3 d5 01 92 | 2b 54 00 00 00 00 00 0f |..ws....|+T......|
|000005a0| 7e 40 00 00 00 00 00 00 | 00 00 fe 02 00 00 00 00 |~@......|........|
|000005b0| 27 10 61 63 51 55 00 00 | 07 49 2a 3c 31 41 42 42 |'.acQU..|.I*<1ABB|
|000005c0| dd dd 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000005d0| 00 00 00 00 00 00 00 00 | 00 00 fe 02 00 00 00 00 |........|........|
|000005e0| 27 15 61 63 51 55 00 00 | 07 49 2a 3c 31 41 42 43 |'.acQU..|.I*<1ABC|
|000005f0| dd dd 01 8e c3 d5 01 92 | 2b 54 00 00 00 00 00 0f |........|+T......|
|00000600| 7e 40 00 00 00 00 00 00 | 00 00 fe 02 00 00 00 00 |~@......|........|
|00000610| 27 16 61 63 51 55 00 00 | 07 49 2a 3c 31 41 42 44 |'.acQU..|.I*<1ABD|
|00000620| dd dd 01 8e c3 d5 01 92 | 2b 54 00 00 00 00 00 0f |........|+T......|
|00000630| 7e 40 00 00 00 00 00 00 | 00 00 fe 02 00 00 00 00 |~@......|........|
|00000640| 27 17 61 63 51 55 00 00 | 00 00 00 00 00 00 00 00 |'.acQU..|........|
|00000650| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000660| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000670| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000680| 00 00 00 00 00 89 00 00 | 00 93 00 00 00 08 00 0a |........|........|
|00000690| 00 08 00 00 00 01 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000006a0| 54 31 30 30 30 36 00 00 | 00 05 01 bc 58 50 98 98 |T10006..|....XP..|
|000006b0| 00 00 31 30 30 30 36 05 | a0 44 40 83 98 98 00 00 |..10006.|.D@.....|
|000006c0| 00 09 00 00 00 01 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000006d0| 54 31 30 30 30 37 00 00 | 00 05 01 bc 58 50 98 98 |T10007..|....XP..|
|000006e0| 00 00 31 30 30 30 37 05 | a0 44 40 83 98 98 00 00 |..10007.|.D@.....|
|000006f0| 00 0a 00 00 00 01 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00000700| 54 31 30 30 30 38 00 00 | 00 05 01 bc 58 50 98 98 |T10008..|....XP..|
|00000710| 00 00 31 30 30 30 38 05 | a0 44 40 83 98 98 00 00 |..10008.|.D@.....|
|00000720| 00 0b 00 00 00 01 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00000730| 54 31 30 30 30 39 00 00 | 00 05 01 bc 58 50 98 98 |T10009..|....XP..|
|00000740| 00 00 31 30 30 30 39 05 | a0 44 40 83 98 98 00 00 |..10009.|.D@.....|
|00000750| 00 0c 00 00 00 01 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00000760| 54 31 30 30 31 30 00 00 | 00 05 01 bc 58 50 98 98 |T10010..|....XP..|
|00000770| 00 00 31 30 30 31 30 05 | a0 44 40 83 98 98 00 00 |..10010.|.D@.....|
|00000780| 00 0d 00 00 00 01 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00000790| 54 31 30 30 31 31 00 00 | 00 05 01 bc 58 50 98 98 |T10011..|....XP..|
|000007a0| 00 00 31 30 30 31 31 05 | a0 44 40 83 98 98 00 00 |..10011.|.D@.....|
|000007b0| 00 0e 00 00 00 01 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000007c0| 54 31 30 30 31 32 00 00 | 00 05 01 bc 58 50 98 98 |T10012..|....XP..|
|000007d0| 00 00 31 30 30 31 32 05 | a0 44 40 83 98 98 00 00 |..10012.|.D@.....|
|000007e0| 00 0f 00 00 00 01 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000007f0| 54 31 30 30 31 33 00 00 | 00 05 01 bc 58 50 98 98 |T10013..|....XP..|
|00000800| 00 00 31 30 30 31 33 05 | a0 44 40 83 98 98 00 00 |..10013.|.D@.....|
|00000810| 00 00 00 00 00 05 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00000820| 54 31 30 30 31 34 00 00 | 00 05 01 bc 58 50 98 98 |T10014..|....XP..|
|00000830| 00 00 31 30 30 31 34 05 | a0 44 40 83 98 98 00 00 |..10014.|.D@.....|
|00000840| 00 01 00 00 00 05 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00000850| 54 31 30 30 31 35 00 00 | 00 05 01 bc 58 50 98 98 |T10015..|....XP..|
|00000860| 00 00 31 30 30 31 35 05 | a0 44 40 83 98 98 00 00 |..10015.|.D@.....|
|00000870| 00 02 00 00 00 05 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000880| 00 01 00 00 00 1e 00 00 | 00 00 00 00 00 9b 00 06 |........|........|
|00000890| 00 00 00 02 00 00 00 00 | 07 49 2a 3c 31 41 42 45 |........|.I*<1ABE|
|000008a0| dd dd 01 8e c3 d5 01 92 | 2b 54 00 00 00 00 00 0f |........|+T......|
|000008b0| 7e 40 00 00 00 00 00 00 | 00 00 fe 02 00 00 00 00 |~@......|........|
|000008c0| 00 00 00 92 00 00 00 00 | 0d 52 73 52 63 61 63 50 |........|.RsRcacP|
|000008d0| 54 30 33 30 30 31 00 00 | 00 05 01 bc 56 30 98 98 |T03001..|....V0..|
|000008e0| 00 00 33 30 30 31 00 05 | a0 44 40 83 98 98 00 00 |..3001..|.D@.....|
|000008f0| 00 00 00 90 00 00 00 00 | 0d 52 73 52 63 61 63 50 |........|.RsRcacP|
|00000900| 54 31 30 30 30 31 00 00 | 00 05 01 bc 53 f0 98 98 |T10001..|....S...|
|00000910| 00 00 31 30 30 30 31 05 | a0 44 40 83 98 98 00 00 |..10001.|.D@.....|
|00000920| 00 00 00 8e 00 00 00 00 | 0d 52 73 52 63 61 63 50 |........|.RsRcacP|
|00000930| 54 31 30 30 31 32 00 00 | 00 05 01 bc 53 f0 98 98 |T10012..|....S...|
|00000940| 00 00 31 30 30 31 32 05 | a0 44 40 83 98 98 00 00 |..10012.|.D@.....|
|00000950| 00 00 00 91 00 00 00 00 | 0d 52 73 52 63 61 63 50 |........|.RsRcacP|
|00000960| 54 31 30 30 32 31 00 00 | 00 05 01 bc 53 f0 98 98 |T10021..|....S...|
|00000970| 00 00 31 30 30 32 31 05 | a0 44 40 83 98 98 00 00 |..10021.|.D@.....|
|00000980| 00 00 00 a0 00 00 00 00 | 0d 52 73 52 63 61 63 51 |........|.RsRcacQ|
|00000990| 55 31 30 30 30 35 00 00 | 00 05 01 bc 57 10 98 98 |U10005..|....W...|
|000009a0| 00 00 31 30 30 30 35 05 | a0 44 40 83 98 98 00 00 |..10005.|.D@.....|
|000009b0| 00 00 00 96 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000009c0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000009d0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000009e0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|000009f0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a00| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a10| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a20| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a30| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a40| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a50| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a60| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a70| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000a80| 00 02 00 0e 00 00 00 00 | 00 00 00 00 00 00 00 1c |........|........|
|00000a90| 01 e3 00 00 00 1c 01 c7 | 00 00 00 1c 01 ab 00 00 |........|........|
|00000aa0| 00 0f 01 9c 00 00 00 0c | 01 90 00 00 00 20 01 70 |........|..... .p|
|00000ab0| 00 00 00 0c 01 64 00 00 | 00 16 01 4e 00 00 00 9b |.....d..|...N....|
|00000ac0| 00 b3 00 00 00 0c 00 a7 | 00 00 00 1a 00 8d 00 00 |........|........|
|00000ad0| 00 06 00 87 00 00 00 0f | 00 78 00 00 00 0c 00 6c |........|.x.....l|
|00000ae0| 00 00 00 07 00 9e 00 00 | 00 1c 00 82 27 23 00 14 |........|....'#..|
|00000af0| 00 0a 00 24 00 f9 00 01 | 44 69 73 74 72 69 62 75 |...$....|Distribu|
|00000b00| 74 65 64 20 62 79 0d 0b | bb 00 06 00 fc 00 04 70 |ted by..|.......p|
|00000b10| 63 47 52 27 10 70 63 56 | 41 27 10 70 63 56 41 27 |cGR'.pcV|A'.pcVA'|
|00000b20| 11 70 63 56 41 27 12 27 | 22 00 30 00 0a 00 a2 00 |.pcVA'.'|".0.....|
|00000b30| f9 00 01 0d 49 6e 20 74 | 68 65 20 55 4b 20 61 6e |....In t|he UK an|
|00000b40| 64 20 77 6f 72 6c 64 77 | 69 64 65 3a 0d 54 68 65 |d worldw|ide:.The|
|00000b50| 20 4d 61 67 64 61 6c 65 | 6e 20 43 65 6e 74 72 65 | Magdale|n Centre|
|00000b60| 0d 4f 78 66 6f 72 64 20 | 53 63 69 65 6e 63 65 20 |.Oxford |Science |
|00000b70| 50 61 72 6b 0d 4f 78 66 | 6f 72 64 20 4f 58 34 20 |Park.Oxf|ord OX4 |
|00000b80| 34 47 41 0d 54 65 6c 3a | 20 2b 34 34 20 28 30 29 |4GA.Tel:| +44 (0)|
|00000b90| 31 38 36 35 20 37 38 34 | 38 30 30 0d 46 61 78 3a |1865 784|800.Fax:|
|00000ba0| 20 2b 34 34 20 28 30 29 | 31 38 36 35 20 37 38 34 | +44 (0)|1865 784|
|00000bb0| 38 30 31 0d 65 2d 6d 61 | 69 6c 3a 20 67 6e 6d 72 |801.e-ma|il: gnmr|
|00000bc0| 40 63 68 65 72 77 65 6c | 6c 2e 63 6f 6d 0d 00 01 |@cherwel|l.com...|
|00000bd0| 00 00 00 00 00 11 00 0d | 26 72 02 00 00 0c 00 00 |........|&r......|
|00000be0| 00 00 00 00 27 21 00 14 | 00 0a 00 38 00 f9 00 01 |....'!..|...8....|
|00000bf0| 0d 43 68 65 72 77 65 6c | 6c 20 53 63 69 65 6e 74 |.Cherwel|l Scient|
|00000c00| 69 66 69 63 20 50 75 62 | 6c 69 73 68 69 6e 67 0d |ific Pub|lishing.|
|00000c10| 27 20 00 14 00 0a 00 24 | 00 f9 00 01 44 69 73 74 |' .....$|....Dist|
|00000c20| 72 69 62 75 74 65 64 20 | 62 79 0d 44 6f 20 74 68 |ributed |by.Do th|
|00000c30| 69 73 20 73 74 65 70 2c | 20 74 68 65 6e 20 63 6c |is step,| then cl|
|00000c40| 69 63 6b 20 4f 4b 2e 44 | 6f 20 74 68 69 73 20 73 |ick OK.D|o this s|
|00000c50| 74 65 70 2c 20 74 68 65 | 6e 20 63 6c 69 63 6b 20 |tep, the|n click |
|00000c60| 4f 4b 2e 44 6f 20 74 68 | 69 73 20 73 74 65 70 2c |OK.Do th|is step,|
|00000c70| 20 74 68 65 6e 20 63 6c | 69 63 6b 20 4f 4b 2e 00 | then cl|ick OK..|
|00000c80| 00 00 00 00 00 9b 00 00 | 00 09 00 00 00 1c 00 0a |........|........|
|00000c90| 00 02 00 00 00 0c 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000ca0| 41 31 30 30 31 35 00 00 | 00 05 01 bc 54 30 98 98 |A10015..|....T0..|
|00000cb0| 00 00 31 30 30 31 35 05 | a0 44 40 83 98 98 00 00 |..10015.|.D@.....|
|00000cc0| 00 02 00 00 00 11 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000cd0| 41 31 30 30 31 36 00 00 | 00 05 01 bc 54 30 98 98 |A10016..|....T0..|
|00000ce0| 00 00 31 30 30 31 36 05 | a0 44 40 83 98 98 00 00 |..10016.|.D@.....|
|00000cf0| 00 05 00 00 00 11 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000d00| 41 31 30 30 31 37 00 00 | 00 05 01 bc 54 30 98 98 |A10017..|....T0..|
|00000d10| 00 00 31 30 30 31 37 05 | a0 44 40 83 98 98 00 00 |..10017.|.D@.....|
|00000d20| 00 07 00 00 00 11 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000d30| 41 31 30 30 31 38 00 00 | 00 05 01 bc 54 30 98 98 |A10018..|....T0..|
|00000d40| 00 00 31 30 30 31 38 05 | a0 44 40 83 98 98 00 00 |..10018.|.D@.....|
|00000d50| 00 09 00 00 00 11 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000d60| 41 31 30 30 31 39 00 00 | 00 05 01 bc 54 30 98 98 |A10019..|....T0..|
|00000d70| 00 00 31 30 30 31 39 05 | a0 44 40 83 98 98 00 00 |..10019.|.D@.....|
|00000d80| 00 0b 00 00 00 11 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000d90| 41 31 30 30 32 30 00 00 | 00 05 01 bc 54 30 98 98 |A10020..|....T0..|
|00000da0| 00 00 31 30 30 32 30 05 | a0 44 40 83 98 98 00 00 |..10020.|.D@.....|
|00000db0| 00 0d 00 00 00 11 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000dc0| 41 31 30 30 32 31 00 00 | 00 05 01 bc 54 30 98 98 |A10021..|....T0..|
|00000dd0| 00 00 31 30 30 32 31 05 | a0 44 40 83 98 98 00 00 |..10021.|.D@.....|
|00000de0| 00 0f 00 00 00 11 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000df0| 41 31 30 30 32 32 00 00 | 00 05 01 bc 54 30 98 98 |A10022..|....T0..|
|00000e00| 00 00 31 30 30 32 32 05 | a0 44 40 83 98 98 00 00 |..10022.|.D@.....|
|00000e10| 00 11 00 00 00 11 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000e20| 41 31 30 30 32 33 00 00 | 00 05 01 bc 54 30 98 98 |A10023..|....T0..|
|00000e30| 00 00 31 30 30 32 33 05 | a0 44 40 83 98 98 00 00 |..10023.|.D@.....|
|00000e40| 00 02 00 00 00 14 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00000e50| 41 31 30 30 32 34 00 00 | 00 05 01 bc 54 30 98 98 |A10024..|....T0..|
|00000e60| 00 00 31 30 30 32 34 05 | a0 44 40 83 98 98 00 00 |..10024.|.D@.....|
|00000e70| 00 04 00 00 00 14 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00000e80| 00 02 00 11 00 00 00 00 | 00 00 00 00 00 00 00 20 |........|....... |
|00000e90| 01 df 00 00 00 0c 01 d3 | 00 00 00 16 01 bd 00 00 |........|........|
|00000ea0| 00 7c 01 41 00 00 00 0c | 01 35 00 00 00 1a 01 1b |.|.A....|.5......|
|00000eb0| 00 00 00 06 01 15 00 00 | 00 0f 01 06 00 00 00 0c |........|........|
|00000ec0| 00 fa 00 00 00 20 00 da | 00 00 00 0c 00 ce 00 00 |..... ..|........|
|00000ed0| 00 16 00 b8 00 00 00 0c | 00 ac 00 00 00 1a 00 92 |........|........|
|00000ee0| 00 00 00 06 00 8c 00 00 | 00 0c 00 80 00 00 00 0b |........|........|
|00000ef0| 00 75 00 24 00 0d 49 76 | 6f 72 79 53 6f 66 74 0d |.u.$..Iv|orySoft.|
|00000f00| 27 29 00 2c 00 0a 00 58 | 00 d1 00 01 0b b9 00 06 |').,...X|........|
|00000f10| 00 d5 00 04 70 63 47 52 | 27 12 70 63 56 41 27 16 |....pcGR|'.pcVA'.|
|00000f20| 70 63 56 41 27 17 70 63 | 56 41 27 18 27 28 00 30 |pcVA'.pc|VA'.'(.0|
|00000f30| 00 0a 00 a2 00 f9 00 01 | 00 01 00 00 00 00 00 11 |........|........|
|00000f40| 00 0d 26 72 02 00 00 0c | 00 00 00 00 00 00 27 27 |..&r....|......''|
|00000f50| 00 14 00 0a 00 38 00 f9 | 00 01 0d 43 68 65 72 77 |.....8..|...Cherw|
|00000f60| 65 6c 6c 20 53 63 69 65 | 6e 74 69 66 69 63 20 50 |ell Scie|ntific P|
|00000f70| 75 62 6c 69 73 68 69 6e | 67 0d 27 26 00 14 00 0a |ublishin|g.'&....|
|00000f80| 00 24 00 f9 00 01 44 69 | 73 74 72 69 62 75 74 65 |.$....Di|stribute|
|00000f90| 64 20 62 79 0d 0b bb 00 | 06 00 fc 00 04 70 63 47 |d by....|.....pcG|
|00000fa0| 52 27 11 70 63 56 41 27 | 13 70 63 56 41 27 14 70 |R'.pcVA'|.pcVA'.p|
|00000fb0| 63 56 41 27 15 27 25 00 | 30 00 0a 00 a2 00 f9 00 |cVA'.'%.|0.......|
|00000fc0| 01 0d 49 6e 20 74 68 65 | 20 55 53 41 3a 0d 37 34 |..In the| USA:.74|
|00000fd0| 34 20 53 61 6e 20 41 6e | 74 6f 6e 69 6f 20 52 6f |4 San An|tonio Ro|
|00000fe0| 61 64 0d 50 61 6c 6f 20 | 41 6c 74 6f 2c 0d 43 41 |ad.Palo |Alto,.CA|
|00000ff0| 20 39 34 33 30 33 0d 54 | 65 6c 3a 20 28 34 31 35 | 94303.T|el: (415|
|00001000| 29 20 38 35 32 20 30 37 | 32 30 0d 46 61 78 3a 20 |) 852 07|20.Fax: |
|00001010| 28 34 31 35 29 20 38 35 | 32 20 30 37 32 33 0d 65 |(415) 85|2 0723.e|
|00001020| 2d 6d 61 69 6c 3a 20 67 | 6e 6d 72 2e 75 73 61 40 |-mail: g|nmr.usa@|
|00001030| 63 68 65 72 77 65 6c 6c | 2e 63 6f 6d 0d 00 01 00 |cherwell|.com....|
|00001040| 00 00 00 00 11 00 0d 26 | 72 02 00 00 0c 00 00 00 |.......&|r.......|
|00001050| 00 00 00 27 24 00 14 00 | 0a 00 38 00 f9 00 01 0d |...'$...|..8.....|
|00001060| 43 68 65 72 77 65 6c 6c | 20 53 63 69 65 6e 74 69 |Cherwell| Scienti|
|00001070| 66 69 63 20 50 75 62 6c | 69 73 68 69 6e 67 0d 00 |fic Publ|ishing..|
|00001080| 00 00 00 00 00 89 00 00 | 00 03 00 00 00 0d 00 0a |........|........|
|00001090| 00 03 00 00 00 05 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000010a0| 54 31 30 30 31 37 00 00 | 00 05 01 bc 54 30 98 98 |T10017..|....T0..|
|000010b0| 00 00 31 30 30 31 37 05 | a0 44 40 83 98 98 00 00 |..10017.|.D@.....|
|000010c0| 00 05 00 00 00 05 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000010d0| 54 31 30 30 31 38 00 00 | 00 05 01 bc 54 30 98 98 |T10018..|....T0..|
|000010e0| 00 00 31 30 30 31 38 05 | a0 44 40 83 98 98 00 00 |..10018.|.D@.....|
|000010f0| 00 08 00 00 00 05 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001100| 54 31 30 30 31 39 00 00 | 00 05 01 bc 54 30 98 98 |T10019..|....T0..|
|00001110| 00 00 31 30 30 31 39 05 | a0 44 40 83 98 98 00 00 |..10019.|.D@.....|
|00001120| 00 0c 00 00 00 05 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001130| 54 31 30 30 32 30 00 00 | 00 05 01 bc 54 30 98 98 |T10020..|....T0..|
|00001140| 00 00 31 30 30 32 30 05 | a0 44 40 83 98 98 00 00 |..10020.|.D@.....|
|00001150| 00 00 00 00 00 07 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001160| 54 31 30 30 32 31 00 00 | 00 05 01 bc 54 30 98 98 |T10021..|....T0..|
|00001170| 00 00 31 30 30 32 31 05 | a0 44 40 83 98 98 00 00 |..10021.|.D@.....|
|00001180| 00 03 00 00 00 07 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001190| 54 31 30 30 32 32 00 00 | 00 05 01 bc 54 30 98 98 |T10022..|....T0..|
|000011a0| 00 00 31 30 30 32 32 05 | a0 44 40 83 98 98 00 00 |..10022.|.D@.....|
|000011b0| 00 07 00 00 00 07 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000011c0| 54 31 30 30 32 33 00 00 | 00 05 01 bc 54 30 98 98 |T10023..|....T0..|
|000011d0| 00 00 31 30 30 32 33 05 | a0 44 40 83 98 98 00 00 |..10023.|.D@.....|
|000011e0| 00 09 00 00 00 07 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000011f0| 54 31 30 30 32 34 00 00 | 00 05 01 bc 54 30 98 98 |T10024..|....T0..|
|00001200| 00 00 31 30 30 32 34 05 | a0 44 40 83 98 98 00 00 |..10024.|.D@.....|
|00001210| 00 00 00 00 00 0a 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001220| 54 31 30 30 32 35 00 00 | 00 05 01 bc 54 30 98 98 |T10025..|....T0..|
|00001230| 00 00 31 30 30 32 35 05 | a0 44 40 83 98 98 00 00 |..10025.|.D@.....|
|00001240| 00 01 00 00 00 0a 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001250| 54 31 30 30 32 36 00 00 | 00 05 01 bc 54 30 98 98 |T10026..|....T0..|
|00001260| 00 00 31 30 30 32 36 05 | a0 44 40 83 98 98 00 00 |..10026.|.D@.....|
|00001270| 00 10 00 00 00 07 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00001280| 00 00 00 00 00 9b 00 00 | 00 10 00 00 00 06 00 0a |........|........|
|00001290| 00 0d 00 00 00 05 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|000012a0| 41 31 30 30 30 34 00 00 | 00 05 01 bc 54 30 98 98 |A10004..|....T0..|
|000012b0| 00 00 31 30 30 30 34 05 | a0 44 40 83 98 98 00 00 |..10004.|.D@.....|
|000012c0| 00 01 00 00 00 07 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|000012d0| 41 31 30 30 30 35 00 00 | 00 05 01 bc 54 30 98 98 |A10005..|....T0..|
|000012e0| 00 00 31 30 30 30 35 05 | a0 44 40 83 98 98 00 00 |..10005.|.D@.....|
|000012f0| 00 04 00 00 00 07 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00001300| 41 31 30 30 30 36 00 00 | 00 05 01 bc 54 30 98 98 |A10006..|....T0..|
|00001310| 00 00 31 30 30 30 36 05 | a0 44 40 83 98 98 00 00 |..10006.|.D@.....|
|00001320| 00 08 00 00 00 07 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00001330| 41 31 30 30 30 37 00 00 | 00 05 01 bc 54 30 98 98 |A10007..|....T0..|
|00001340| 00 00 31 30 30 30 37 05 | a0 44 40 83 98 98 00 00 |..10007.|.D@.....|
|00001350| 00 0a 00 00 00 07 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00001360| 41 31 30 30 30 38 00 00 | 00 05 01 bc 54 30 98 98 |A10008..|....T0..|
|00001370| 00 00 31 30 30 30 38 05 | a0 44 40 83 98 98 00 00 |..10008.|.D@.....|
|00001380| 00 0c 00 00 00 07 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00001390| 41 31 30 30 30 39 00 00 | 00 05 01 bc 54 30 98 98 |A10009..|....T0..|
|000013a0| 00 00 31 30 30 30 39 05 | a0 44 40 83 98 98 00 00 |..10009.|.D@.....|
|000013b0| 00 0f 00 00 00 07 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|000013c0| 41 31 30 30 31 30 00 00 | 00 05 01 bc 54 30 98 98 |A10010..|....T0..|
|000013d0| 00 00 31 30 30 31 30 05 | a0 44 40 83 98 98 00 00 |..10010.|.D@.....|
|000013e0| 00 02 00 00 00 0a 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|000013f0| 41 31 30 30 31 31 00 00 | 00 05 01 bc 54 30 98 98 |A10011..|....T0..|
|00001400| 00 00 31 30 30 31 31 05 | a0 44 40 83 98 98 00 00 |..10011.|.D@.....|
|00001410| 00 05 00 00 00 0a 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00001420| 41 31 30 30 31 32 00 00 | 00 05 01 bc 54 30 98 98 |A10012..|....T0..|
|00001430| 00 00 31 30 30 31 32 05 | a0 44 40 83 98 98 00 00 |..10012.|.D@.....|
|00001440| 00 07 00 00 00 0a 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00001450| 41 31 30 30 31 33 00 00 | 00 05 01 bc 54 30 98 98 |A10013..|....T0..|
|00001460| 00 00 31 30 30 31 33 05 | a0 44 40 83 98 98 00 00 |..10013.|.D@.....|
|00001470| 00 0a 00 00 00 0a 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00001480| 00 02 00 0b 00 00 00 00 | 00 00 00 00 00 00 00 8e |........|........|
|00001490| 01 71 00 00 00 2e 01 43 | 00 00 00 0c 01 37 00 00 |.q.....C|.....7..|
|000014a0| 00 16 01 21 00 00 00 14 | 01 0d 00 00 00 0c 01 01 |...!....|........|
|000014b0| 00 00 00 08 00 f9 00 00 | 00 0c 00 ed 00 00 00 08 |........|........|
|000014c0| 00 e5 00 00 00 7b 00 6a | 00 00 00 0c 00 5e 00 00 |.....{.j|.....^..|
|000014d0| 00 16 00 b8 00 00 00 0f | 00 78 00 00 00 0c 27 2d |........|.x....'-|
|000014e0| 00 00 00 0a 00 f0 01 49 | ff fe 0d 43 68 6f 6f 73 |.......I|...Choos|
|000014f0| 65 20 49 74 65 72 61 74 | 65 2f 41 73 73 69 67 6e |e Iterat|e/Assign|
|00001500| 6d 65 6e 74 73 20 61 6e | 64 20 66 72 6f 6d 20 74 |ments an|d from t|
|00001510| 68 65 20 72 65 73 75 6c | 74 69 6e 67 20 64 69 61 |he resul|ting dia|
|00001520| 6c 6f 67 20 63 68 6f 6f | 73 65 20 74 68 65 20 50 |log choo|se the P|
|00001530| 6c 6f 74 20 77 69 6e 64 | 6f 77 20 66 6f 72 20 77 |lot wind|ow for w|
|00001540| 68 69 63 68 20 79 6f 75 | 20 77 61 6e 74 20 74 6f |hich you| want to|
|00001550| 20 64 6f 20 74 68 65 20 | 61 73 73 69 67 6e 6d 65 | do the |assignme|
|00001560| 6e 74 73 2e 0d 00 01 70 | 63 54 41 27 1c 27 2c 00 |nts....p|cTA'.',.|
|00001570| 00 00 0a 00 64 01 49 ff | fe 00 01 70 63 54 41 27 |....d.I.|...pcTA'|
|00001580| 1b 27 2b 00 00 00 0a 00 | 80 01 49 ff fe 00 03 70 |.'+.....|..I....p|
|00001590| 63 47 52 27 13 70 63 56 | 41 27 19 70 63 56 41 27 |cGR'.pcV|A'.pcVA'|
|000015a0| 1a 00 01 00 00 00 00 00 | 11 00 0d 26 72 02 00 00 |........|...&r...|
|000015b0| 0c 00 00 00 00 00 00 27 | 2a 00 48 00 0a 00 6c 00 |.......'|*.H...l.|
|000015c0| d1 00 01 0d 67 4e 4d 52 | 20 56 33 2e 36 20 66 6f |....gNMR| V3.6 fo|
|000015d0| 72 20 74 68 65 20 4d 61 | 63 69 6e 74 6f 73 68 0d |r the Ma|cintosh.|
|000015e0| 43 6f 70 79 72 69 67 68 | 74 20 a9 20 31 39 39 35 |Copyrigh|t . 1995|
|000015f0| 0d 0d 49 6e 20 47 65 72 | 6d 61 6e 79 3a 0d 63 2f |..In Ger|many:.c/|
|00001600| 6f 20 43 48 45 4d 20 52 | 65 73 65 61 72 63 68 20 |o CHEM R|esearch |
|00001610| 47 6d 62 48 0d 48 61 6d | 62 75 72 67 65 72 20 41 |GmbH.Ham|burger A|
|00001620| 6c 6c 65 65 20 32 36 2d | 32 38 0d 44 2d 36 30 34 |llee 26-|28.D-604|
|00001630| 38 36 20 46 72 61 6e 6b | 66 75 72 74 0d 54 65 6c |86 Frank|furt.Tel|
|00001640| 3a 20 30 36 39 2d 39 37 | 30 38 34 31 2d 31 31 0d |: 069-97|0841-11.|
|00001650| 46 61 78 3a 20 30 36 39 | 2d 39 37 30 38 34 31 2d |Fax: 069|-970841-|
|00001660| 34 31 0d 65 2d 6d 61 69 | 6c 3a 20 67 6e 6d 72 2e |41.e-mai|l: gnmr.|
|00001670| 64 40 63 68 65 72 77 65 | 6c 6c 2e 63 6f 6d 0d 00 |d@cherwe|ll.com..|
|00001680| 00 00 00 00 00 1d 00 00 | 00 15 00 00 00 1b 00 0a |........|........|
|00001690| 00 0e 00 00 00 11 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|000016a0| 41 31 30 30 31 34 00 00 | 00 05 01 bc 54 30 98 98 |A10014..|....T0..|
|000016b0| 00 00 31 30 30 31 34 05 | a0 44 40 83 98 98 00 00 |..10014.|.D@.....|
|000016c0| 00 10 00 00 00 11 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|000016d0| 41 31 30 30 31 35 00 00 | 00 05 01 bc 54 30 98 98 |A10015..|....T0..|
|000016e0| 00 00 31 30 30 31 35 05 | a0 44 40 83 98 98 00 00 |..10015.|.D@.....|
|000016f0| 00 01 00 00 00 14 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00001700| 41 31 30 30 31 36 00 00 | 00 05 01 bc 54 30 98 98 |A10016..|....T0..|
|00001710| 00 00 31 30 30 31 36 05 | a0 44 40 83 98 98 00 00 |..10016.|.D@.....|
|00001720| 00 03 00 00 00 14 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00001730| 41 31 30 30 31 37 00 00 | 00 05 01 bc 54 30 98 98 |A10017..|....T0..|
|00001740| 00 00 31 30 30 31 37 05 | a0 44 40 83 98 98 00 00 |..10017.|.D@.....|
|00001750| 00 02 00 00 00 16 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00001760| 41 31 30 30 31 38 00 00 | 00 05 01 bc 54 30 98 98 |A10018..|....T0..|
|00001770| 00 00 31 30 30 31 38 05 | a0 44 40 83 98 98 00 00 |..10018.|.D@.....|
|00001780| 00 03 00 00 00 18 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00001790| 41 31 30 30 31 39 00 00 | 00 05 01 bc 54 30 98 98 |A10019..|....T0..|
|000017a0| 00 00 31 30 30 31 39 05 | a0 44 40 83 98 98 00 00 |..10019.|.D@.....|
|000017b0| 00 02 00 00 00 1f 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|000017c0| 41 31 30 30 32 30 00 00 | 00 05 01 bc 54 30 98 98 |A10020..|....T0..|
|000017d0| 00 00 31 30 30 32 30 05 | a0 44 40 83 98 98 00 00 |..10020.|.D@.....|
|000017e0| 00 04 00 00 00 1f 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|000017f0| 41 31 30 30 32 31 00 00 | 00 05 01 bc 54 30 98 98 |A10021..|....T0..|
|00001800| 00 00 31 30 30 32 31 05 | a0 44 40 83 98 98 00 00 |..10021.|.D@.....|
|00001810| 00 06 00 00 00 1f 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00001820| 41 31 30 30 32 32 00 00 | 00 05 01 bc 54 30 98 98 |A10022..|....T0..|
|00001830| 00 00 31 30 30 32 32 05 | a0 44 40 83 98 98 00 00 |..10022.|.D@.....|
|00001840| 00 08 00 00 00 1f 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00001850| 41 31 30 30 32 33 00 00 | 00 05 01 bc 54 30 98 98 |A10023..|....T0..|
|00001860| 00 00 31 30 30 32 33 05 | a0 44 40 83 98 98 00 00 |..10023.|.D@.....|
|00001870| 00 03 00 00 00 20 00 00 | 00 00 00 00 00 00 00 00 |..... ..|........|
|00001880| 00 02 00 05 00 00 00 00 | 00 00 00 00 00 00 01 7b |........|.......{|
|00001890| 00 84 00 00 00 08 00 7c | 00 00 00 0c 00 70 00 00 |.......||.....p..|
|000018a0| 00 25 00 4b 00 00 00 14 | 00 37 00 00 00 1a 01 1b |.%.K....|.7......|
|000018b0| 00 00 00 06 01 15 00 00 | 03 70 63 54 41 27 1e 70 |........|.pcTA'.p|
|000018c0| 63 43 49 27 10 70 63 43 | 49 27 11 00 0a 00 00 00 |cCI'.pcC|I'......|
|000018d0| 01 00 5b 00 0b 00 6b 01 | 4a 00 00 14 4e 75 6d 65 |..[...k.|J...Nume|
|000018e0| 72 69 63 61 6c 20 61 73 | 73 69 67 6e 6d 65 6e 74 |rical as|signment|
|000018f0| 27 2e 00 00 00 0a 00 56 | 01 49 ff fe 00 01 70 63 |'......V|.I....pc|
|00001900| 54 41 27 1d 49 66 20 79 | 6f 75 20 65 6e 74 65 72 |TA'.If y|ou enter|
|00001910| 20 61 6e 79 20 6e 65 77 | 20 76 61 6c 75 65 73 20 | any new| values |
|00001920| 69 6e 20 74 68 65 20 65 | 6d 70 74 79 20 62 6f 74 |in the e|mpty bot|
|00001930| 74 6f 6d 20 72 6f 77 20 | 6f 66 20 74 68 65 20 4d |tom row |of the M|
|00001940| 6f 6c 65 63 75 6c 65 20 | 77 69 6e 64 6f 77 2c 20 |olecule |window, |
|00001950| 74 68 65 20 77 69 6e 64 | 6f 77 20 77 69 6c 6c 20 |the wind|ow will |
|00001960| 65 78 70 61 6e 64 20 74 | 6f 20 61 63 63 6f 6d 6d |expand t|o accomm|
|00001970| 6f 64 61 74 65 20 74 68 | 65 20 6e 65 77 20 6e 75 |odate th|e new nu|
|00001980| 63 6c 65 75 73 20 61 6e | 64 20 61 6e 6f 74 68 65 |cleus an|d anothe|
|00001990| 72 20 65 6d 70 74 79 20 | 72 6f 77 2e 0d 54 6f 20 |r empty |row..To |
|000019a0| 69 6e 73 65 72 74 20 61 | 20 6e 65 77 20 72 6f 77 |insert a| new row|
|000019b0| 20 61 6e 79 77 68 65 72 | 65 20 65 6c 73 65 2c 20 | anywher|e else, |
|000019c0| 74 79 70 65 20 61 20 2b | 20 69 6e 20 74 68 65 20 |type a +| in the |
|000019d0| 6e 75 6d 62 65 72 2d 6f | 66 2d 6e 75 63 6c 65 69 |number-o|f-nuclei|
|000019e0| 20 63 6f 6c 75 6d 6e 20 | 28 74 68 65 20 63 6f 6c | column |(the col|
|000019f0| 75 6d 6e 20 6c 61 62 65 | 6c 65 64 20 22 6e 22 29 |umn labe|led "n")|
|00001a00| 2e 0d 0d 49 66 20 79 6f | 75 20 61 72 65 20 77 6f |...If yo|u are wo|
|00001a10| 72 6b 69 6e 67 20 77 69 | 74 68 20 6d 6f 6c 65 63 |rking wi|th molec|
|00001a20| 75 6c 61 72 20 73 74 72 | 75 63 74 75 72 65 73 2c |ular str|uctures,|
|00001a30| 20 74 68 69 73 20 6f 70 | 65 72 61 74 69 6f 6e 20 | this op|eration |
|00001a40| 69 73 20 64 69 73 61 62 | 6c 65 64 20 61 6e 64 20 |is disab|led and |
|00001a50| 6e 75 63 6c 65 69 20 6d | 75 73 74 20 62 65 20 61 |nuclei m|ust be a|
|00001a60| 64 64 65 64 20 76 69 61 | 20 74 68 65 20 53 74 72 |dded via| the Str|
|00001a70| 75 63 74 75 72 65 20 77 | 69 6e 64 6f 77 2e 0d 00 |ucture w|indow...|
|00001a80| 00 00 00 00 00 89 00 00 | 00 08 00 00 00 1a 00 0a |........|........|
|00001a90| 00 00 00 00 00 0c 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001aa0| 54 31 30 30 32 38 00 00 | 00 05 01 bc 54 30 98 98 |T10028..|....T0..|
|00001ab0| 00 00 31 30 30 32 38 05 | a0 44 40 83 98 98 00 00 |..10028.|.D@.....|
|00001ac0| 00 00 00 00 00 0e 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001ad0| 54 31 30 30 32 39 00 00 | 02 63 01 bc 54 30 00 0f |T10029..|.c..T0..|
|00001ae0| 7e 40 31 30 30 32 39 05 | a0 44 40 83 98 98 00 00 |~@10029.|.D@.....|
|00001af0| 00 00 00 00 00 0f 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001b00| 54 31 30 30 33 30 00 00 | 00 05 01 bc 54 30 98 98 |T10030..|....T0..|
|00001b10| 00 00 31 30 30 33 30 05 | a0 44 40 83 98 98 00 00 |..10030.|.D@.....|
|00001b20| 00 01 00 00 00 0e 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001b30| 54 31 30 30 33 31 00 00 | 02 41 01 bc 54 30 00 0f |T10031..|.A..T0..|
|00001b40| 7e 40 31 30 30 33 31 05 | a0 44 40 83 98 98 00 00 |~@10031.|.D@.....|
|00001b50| 00 00 00 00 00 12 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001b60| 54 31 30 30 33 32 00 00 | 02 5c 01 bc 54 30 00 0f |T10032..|.\..T0..|
|00001b70| 7e 40 31 30 30 33 32 05 | a0 44 40 83 98 98 00 00 |~@10032.|.D@.....|
|00001b80| 00 00 00 00 00 13 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001b90| 54 31 30 30 33 33 00 00 | 00 05 01 bc 54 30 98 98 |T10033..|....T0..|
|00001ba0| 00 00 31 30 30 33 33 05 | a0 44 40 83 98 98 00 00 |..10033.|.D@.....|
|00001bb0| 00 00 00 00 00 14 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001bc0| 54 31 30 30 33 34 00 00 | 00 05 01 bc 54 30 98 98 |T10034..|....T0..|
|00001bd0| 00 00 31 30 30 33 34 05 | a0 44 40 83 98 98 00 00 |..10034.|.D@.....|
|00001be0| 00 00 00 00 00 16 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001bf0| 54 31 30 30 33 35 00 00 | 00 05 01 bc 54 30 98 98 |T10035..|....T0..|
|00001c00| 00 00 31 30 30 33 35 05 | a0 44 40 83 98 98 00 00 |..10035.|.D@.....|
|00001c10| 00 00 00 00 00 17 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001c20| 54 31 30 30 33 36 00 00 | 00 05 01 bc 54 30 98 98 |T10036..|....T0..|
|00001c30| 00 00 31 30 30 33 36 05 | a0 44 40 83 98 98 00 00 |..10036.|.D@.....|
|00001c40| 00 01 00 00 00 16 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00001c50| 54 31 30 30 33 37 00 00 | 00 05 01 bc 54 30 98 98 |T10037..|....T0..|
|00001c60| 00 00 31 30 30 33 37 05 | a0 44 40 83 98 98 00 00 |..10037.|.D@.....|
|00001c70| 00 00 00 00 00 18 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00001c80| 00 02 00 02 00 00 00 00 | 00 00 00 00 00 00 00 f4 |........|........|
|00001c90| 01 0b 00 00 00 e5 00 26 | 00 00 00 0c 01 37 00 00 |.......&|.....7..|
|00001ca0| 00 16 01 21 00 00 54 68 | 65 73 65 20 74 77 6f 20 |...!..Th|ese two |
|00001cb0| 74 79 70 65 73 20 6f 66 | 20 61 73 73 69 67 6e 6d |types of| assignm|
|00001cc0| 65 6e 74 73 20 61 72 65 | 20 6a 75 73 74 20 64 69 |ents are| just di|
|00001cd0| 66 66 65 72 65 6e 74 20 | 77 61 79 73 20 6f 66 20 |fferent |ways of |
|00001ce0| 65 6e 74 65 72 69 6e 67 | 20 74 68 65 20 73 61 6d |entering| the sam|
|00001cf0| 65 20 64 61 74 61 2e 0d | 59 6f 75 20 63 61 6e 20 |e data..|You can |
|00001d00| 6d 69 78 20 74 68 65 6d | 2c 20 65 2e 67 2e 20 62 |mix them|, e.g. b|
|00001d10| 79 20 66 69 72 73 74 20 | 64 6f 69 6e 67 20 6d 6f |y first |doing mo|
|00001d20| 75 73 65 20 61 73 73 69 | 67 6e 6d 65 6e 74 20 61 |use assi|gnment a|
|00001d30| 6e 64 20 74 68 65 6e 20 | 6c 6f 6f 6b 69 6e 67 20 |nd then |looking |
|00001d40| 61 74 20 74 68 65 20 6e | 75 6d 65 72 69 63 20 64 |at the n|umeric d|
|00001d50| 61 74 61 2e 0d 0d 57 68 | 69 63 68 20 70 6f 73 73 |ata...Wh|ich poss|
|00001d60| 69 62 69 6c 69 74 79 20 | 61 72 65 20 79 6f 75 20 |ibility |are you |
|00001d70| 69 6e 74 65 72 65 73 74 | 65 64 20 69 6e 20 28 63 |interest|ed in (c|
|00001d80| 6c 69 63 6b 20 6f 6e 65 | 29 3a 0d 54 6f 20 64 65 |lick one|):.To de|
|00001d90| 6c 65 74 65 20 61 20 72 | 6f 77 2c 20 74 79 70 65 |lete a r|ow, type|
|00001da0| 20 61 20 2d 20 6f 72 20 | 65 6e 74 65 72 20 61 20 | a - or |enter a |
|00001db0| 30 20 69 6e 20 74 68 65 | 20 6e 75 6d 62 65 72 2d |0 in the| number-|
|00001dc0| 6f 66 2d 6e 75 63 6c 65 | 69 20 63 6f 6c 75 6d 6e |of-nucle|i column|
|00001dd0| 20 28 74 68 65 20 63 6f | 6c 75 6d 6e 20 6c 61 62 | (the co|lumn lab|
|00001de0| 65 6c 65 64 20 22 6e 22 | 29 20 6f 66 20 74 68 65 |eled "n"|) of the|
|00001df0| 20 4d 6f 6c 65 63 75 6c | 65 20 77 69 6e 64 6f 77 | Molecul|e window|
|00001e00| 2e 0d 0d 49 66 20 79 6f | 75 20 61 72 65 20 77 6f |...If yo|u are wo|
|00001e10| 72 6b 69 6e 67 20 77 69 | 74 68 20 6d 6f 6c 65 63 |rking wi|th molec|
|00001e20| 75 6c 61 72 20 73 74 72 | 75 63 74 75 72 65 73 2c |ular str|uctures,|
|00001e30| 20 74 68 69 73 20 6f 70 | 65 72 61 74 69 6f 6e 20 | this op|eration |
|00001e40| 69 73 20 64 69 73 61 62 | 6c 65 64 20 61 6e 64 20 |is disab|led and |
|00001e50| 6e 75 63 6c 65 69 20 6d | 75 73 74 20 62 65 20 61 |nuclei m|ust be a|
|00001e60| 64 64 65 64 20 76 69 61 | 20 74 68 65 20 53 74 72 |dded via| the Str|
|00001e70| 75 63 74 75 72 65 20 77 | 69 6e 64 6f 77 2e 0d 00 |ucture w|indow...|
|00001e80| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 02 63 |........|.......c|
|00001e90| 00 18 00 00 00 0a 00 09 | 59 6f 75 20 63 61 6e 20 |........|You can |
|00001ea0| 65 6e 74 65 72 20 61 73 | 73 69 67 6e 6d 65 6e 74 |enter as|signment|
|00001eb0| 73 20 69 6e 20 74 77 6f | 20 77 61 79 73 3a 0d 0d |s in two| ways:..|
|00001ec0| 20 a5 20 4d 61 6e 75 61 | 6c 6c 79 2c 20 62 79 20 | . Manua|lly, by |
|00001ed0| 74 79 70 69 6e 67 20 66 | 72 65 71 75 65 6e 63 79 |typing f|requency|
|00001ee0| 20 61 6e 64 2f 6f 72 20 | 69 6e 74 65 6e 73 69 74 | and/or |intensit|
|00001ef0| 79 20 76 61 6c 75 65 73 | 20 66 72 6f 6d 20 61 20 |y values| from a |
|00001f00| 6c 69 73 74 20 69 6e 20 | 74 68 65 20 41 73 73 69 |list in |the Assi|
|00001f10| 67 6e 6d 65 6e 74 73 20 | 77 69 6e 64 6f 77 2e 0d |gnments |window..|
|00001f20| 54 68 69 73 20 69 73 20 | 63 61 6c 6c 65 64 20 22 |This is |called "|
|00001f30| 6e 75 6d 65 72 69 63 61 | 6c 20 61 73 73 69 67 6e |numerica|l assign|
|00001f40| 6d 65 6e 74 22 2e 0d 53 | 65 6c 65 63 74 20 49 74 |ment"..S|elect It|
|00001f50| 65 72 61 74 65 2f 41 73 | 73 69 67 6e 6d 65 6e 74 |erate/As|signment|
|00001f60| 73 20 61 6e 64 20 66 72 | 6f 6d 20 74 68 65 20 72 |s and fr|om the r|
|00001f70| 65 73 75 6c 74 69 6e 67 | 20 64 69 61 6c 6f 67 20 |esulting| dialog |
|00001f80| 63 68 6f 6f 73 65 20 74 | 68 65 20 6e 75 63 6c 65 |choose t|he nucle|
|00001f90| 75 73 20 66 6f 72 20 77 | 68 69 63 68 20 79 6f 75 |us for w|hich you|
|00001fa0| 20 77 61 6e 74 20 74 6f | 20 65 6e 74 65 72 20 70 | want to| enter p|
|00001fb0| 65 61 6b 20 70 6f 73 69 | 74 69 6f 6e 73 2e 0d 0d |eak posi|tions...|
|00001fc0| 20 a5 20 49 66 20 79 6f | 75 20 68 61 76 65 20 61 | . If yo|u have a|
|00001fd0| 6e 20 65 78 70 65 72 69 | 6d 65 6e 74 61 6c 20 73 |n experi|mental s|
|00001fe0| 70 65 63 74 72 75 6d 2c | 20 79 6f 75 20 63 61 6e |pectrum,| you can|
|00001ff0| 20 64 69 73 70 6c 61 79 | 20 63 61 6c 63 75 6c 61 | display| calcula|
|00002000| 74 65 64 20 61 6e 64 20 | 65 78 70 65 72 69 6d 65 |ted and |experime|
|00002010| 6e 74 61 6c 20 73 70 65 | 63 74 72 75 6d 20 73 69 |ntal spe|ctrum si|
|00002020| 6d 75 6c 61 6e 65 6f 75 | 73 6c 79 20 61 6e 64 20 |mulaneou|sly and |
|00002030| 70 6f 69 6e 74 20 6f 75 | 74 20 63 6f 72 72 65 73 |point ou|t corres|
|00002040| 70 6f 6e 64 69 6e 67 20 | 70 65 61 6b 73 20 77 69 |ponding |peaks wi|
|00002050| 74 68 20 74 68 65 20 6d | 6f 75 73 65 2e 0d 54 68 |th the m|ouse..Th|
|00002060| 69 73 20 69 73 20 63 61 | 6c 6c 65 64 20 22 6d 6f |is is ca|lled "mo|
|00002070| 75 73 65 20 61 73 73 69 | 67 6e 6d 65 6e 74 22 2e |use assi|gnment".|
|00002080| 00 00 00 00 00 9b 00 00 | 00 a5 00 00 00 09 00 0a |........|........|
|00002090| 00 01 00 00 00 01 00 00 | 0d 52 73 52 63 70 61 45 |........|.RsRcpaE|
|000020a0| 56 31 30 30 30 32 00 00 | 00 05 01 bc 51 f0 98 98 |V10002..|....Q...|
|000020b0| 00 00 31 30 30 30 32 05 | a0 44 40 83 98 98 00 00 |..10002.|.D@.....|
|000020c0| 00 02 00 00 00 01 00 00 | 0d 52 73 52 63 70 63 43 |........|.RsRcpcC|
|000020d0| 49 31 30 30 30 30 00 00 | 00 05 01 bc 54 30 98 98 |I10000..|....T0..|
|000020e0| 00 00 31 30 30 30 30 05 | a0 44 40 83 98 98 00 00 |..10000.|.D@.....|
|000020f0| 00 03 00 00 00 0c 00 00 | 0d 52 73 52 63 70 63 43 |........|.RsRcpcC|
|00002100| 49 31 30 30 30 31 00 00 | 00 05 01 bc 54 30 98 98 |I10001..|....T0..|
|00002110| 00 00 31 30 30 30 31 05 | a0 44 40 83 98 98 00 00 |..10001.|.D@.....|
|00002120| 00 00 00 00 00 11 00 00 | 0d 52 73 52 63 70 63 47 |........|.RsRcpcG|
|00002130| 52 31 30 30 30 30 00 00 | 00 05 01 bc 54 30 98 98 |R10000..|....T0..|
|00002140| 00 00 31 30 30 30 30 05 | a0 44 40 83 98 98 00 00 |..10000.|.D@.....|
|00002150| 00 10 00 00 00 01 00 00 | 0d 52 73 52 63 70 63 47 |........|.RsRcpcG|
|00002160| 52 31 30 30 30 31 00 00 | 00 05 01 bc 54 30 98 98 |R10001..|....T0..|
|00002170| 00 00 31 30 30 30 31 05 | a0 44 40 83 98 98 00 00 |..10001.|.D@.....|
|00002180| 00 0b 00 00 00 05 00 00 | 0d 52 73 52 63 70 63 47 |........|.RsRcpcG|
|00002190| 52 31 30 30 30 32 00 00 | 00 05 01 bc 54 30 98 98 |R10002..|....T0..|
|000021a0| 00 00 31 30 30 30 32 05 | a0 44 40 83 98 98 00 00 |..10002.|.D@.....|
|000021b0| 00 06 00 00 00 07 00 00 | 0d 52 73 52 63 70 63 47 |........|.RsRcpcG|
|000021c0| 52 31 30 30 30 33 00 00 | 00 05 01 bc 54 30 98 98 |R10003..|....T0..|
|000021d0| 00 00 31 30 30 30 33 05 | a0 44 40 83 98 98 00 00 |..10003.|.D@.....|
|000021e0| 00 0e 00 00 00 07 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|000021f0| 41 31 30 30 30 30 00 00 | 00 05 01 bc 54 30 98 98 |A10000..|....T0..|
|00002200| 00 00 31 30 30 30 30 05 | a0 44 40 83 98 98 00 00 |..10000.|.D@.....|
|00002210| 00 04 00 00 00 05 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00002220| 41 31 30 30 30 31 00 00 | 00 05 01 bc 54 30 98 98 |A10001..|....T0..|
|00002230| 00 00 31 30 30 30 31 05 | a0 44 40 83 98 98 00 00 |..10001.|.D@.....|
|00002240| 00 06 00 00 00 05 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00002250| 41 31 30 30 30 32 00 00 | 00 05 01 bc 54 30 98 98 |A10002..|....T0..|
|00002260| 00 00 31 30 30 30 32 05 | a0 44 40 83 98 98 00 00 |..10002.|.D@.....|
|00002270| 00 09 00 00 00 05 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00002280| 00 02 00 12 00 00 00 00 | 00 00 00 00 00 00 00 21 |........|.......!|
|00002290| 01 de 00 00 00 59 01 85 | 00 00 00 0c 01 79 00 00 |.....Y..|.....y..|
|000022a0| 00 08 01 71 00 00 00 74 | 00 fd 00 00 00 0c 00 f1 |...q...t|........|
|000022b0| 00 00 00 08 00 e9 00 00 | 00 0c 00 dd 00 00 00 08 |........|........|
|000022c0| 00 d5 00 00 00 0c 00 c9 | 00 00 00 08 00 c1 00 00 |........|........|
|000022d0| 00 0c 00 b5 00 00 00 08 | 00 ad 00 00 00 0c 00 a1 |........|........|
|000022e0| 00 00 00 08 00 99 00 00 | 00 0c 00 8d 00 00 00 08 |........|........|
|000022f0| 00 85 00 00 00 0c 00 79 | 01 27 36 00 00 00 0a 00 |.......y|.'6.....|
|00002300| aa 01 49 ff fe 00 01 70 | 63 54 41 27 25 27 35 00 |..I....p|cTA'%'5.|
|00002310| 00 00 0a 00 72 01 49 ff | fe 00 01 70 63 54 41 27 |....r.I.|...pcTA'|
|00002320| 24 27 34 00 00 00 0a 00 | 48 01 49 ff fe 00 01 70 |$'4.....|H.I....p|
|00002330| 63 54 41 27 23 27 33 00 | 00 00 0a 00 fe 01 49 ff |cTA'#'3.|......I.|
|00002340| fe 00 01 70 63 54 41 27 | 22 27 32 00 00 00 0a 00 |...pcTA'|"'2.....|
|00002350| 56 01 49 ff fe 00 01 70 | 63 54 41 27 21 27 31 00 |V.I....p|cTA'!'1.|
|00002360| 00 00 0a 00 9c 01 49 ff | fe 00 01 70 63 54 41 27 |......I.|...pcTA'|
|00002370| 20 27 30 00 00 00 0a 00 | d4 01 49 ff fe 20 61 6e | '0.....|..I.. an|
|00002380| 64 20 35 20 68 61 76 65 | 20 61 20 74 6f 74 61 6c |d 5 have| a total|
|00002390| 20 69 6e 74 65 6e 73 69 | 74 79 20 6f 66 20 30 2e | intensi|ty of 0.|
|000023a0| 32 38 2c 20 66 69 72 73 | 74 20 65 6e 74 65 72 20 |28, firs|t enter |
|000023b0| 30 2e 32 38 20 66 6f 72 | 20 74 68 65 20 69 6e 74 |0.28 for| the int|
|000023c0| 65 6e 73 69 74 79 20 6f | 66 20 70 65 61 6b 20 33 |ensity o|f peak 3|
|000023d0| 2c 20 61 6e 64 20 74 68 | 65 6e 20 2d 33 20 66 6f |, and th|en -3 fo|
|000023e0| 72 20 70 65 61 6b 73 20 | 34 20 61 6e 64 20 35 2e |r peaks |4 and 5.|
|000023f0| 0d 00 01 70 63 54 41 27 | 1f 27 2f 00 00 00 0a 00 |...pcTA'|.'/.....|
|00002400| d4 01 49 ff fe 20 63 6c | 65 61 72 69 6e 67 20 69 |..I.. cl|earing i|
|00002410| 74 73 20 66 69 65 6c 64 | 2e 0d 59 6f 75 20 63 61 |ts field|..You ca|
|00002420| 6e 20 63 6c 65 61 72 20 | 61 6c 6c 20 61 73 73 69 |n clear |all assi|
|00002430| 67 6e 6d 65 6e 74 73 20 | 61 74 20 6f 6e 63 65 20 |gnments |at once |
|00002440| 62 79 20 63 6c 69 63 6b | 69 6e 67 20 74 68 65 20 |by click|ing the |
|00002450| 43 6c 65 61 72 20 62 75 | 74 74 6f 6e 2e 0d 00 0a |Clear bu|tton....|
|00002460| 00 00 00 00 00 6b 00 0b | 00 7b 01 4a 00 00 10 4d |.....k..|.{.J...M|
|00002470| 6f 75 73 65 20 61 73 73 | 69 67 6e 6d 65 6e 74 00 |ouse ass|ignment.|
|00002480| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 02 41 |........|.......A|
|00002490| 00 18 00 00 00 11 00 01 | 49 6e 20 74 68 69 73 20 |........|In this |
|000024a0| 77 69 6e 64 6f 77 2c 20 | 79 6f 75 20 63 61 6e 20 |window, |you can |
|000024b0| 65 6e 74 65 72 20 6f 62 | 73 65 72 76 65 64 20 70 |enter ob|served p|
|000024c0| 65 61 6b 20 70 6f 73 69 | 74 69 6f 6e 73 20 28 61 |eak posi|tions (a|
|000024d0| 6e 64 20 6f 70 74 69 6f | 6e 61 6c 6c 79 20 69 6e |nd optio|nally in|
|000024e0| 74 65 6e 73 69 74 69 65 | 73 29 20 66 6f 72 20 65 |tensitie|s) for e|
|000024f0| 61 63 68 20 70 65 61 6b | 20 63 61 6c 63 75 6c 61 |ach peak| calcula|
|00002500| 74 65 64 20 62 79 20 67 | 4e 4d 52 2e 0d 0d 54 68 |ted by g|NMR...Th|
|00002510| 65 20 43 61 6c 63 27 64 | 20 63 6f 6c 75 6d 6e 20 |e Calc'd| column |
|00002520| 67 69 76 65 73 20 74 68 | 65 20 63 61 6c 63 75 6c |gives th|e calcul|
|00002530| 61 74 65 64 20 70 65 61 | 6b 20 70 6f 73 69 74 69 |ated pea|k positi|
|00002540| 6f 6e 73 2e 0d 59 6f 75 | 20 63 61 6e 20 65 6e 74 |ons..You| can ent|
|00002550| 65 72 20 74 68 65 20 63 | 6f 72 72 65 73 70 6f 6e |er the c|orrespon|
|00002560| 64 69 6e 67 20 6f 62 73 | 65 72 76 65 64 20 76 61 |ding obs|erved va|
|00002570| 6c 75 65 73 20 69 6e 20 | 74 68 65 20 4f 62 73 27 |lues in |the Obs'|
|00002580| 64 20 63 6f 6c 75 6d 6e | 2e 0d 49 66 20 74 68 65 |d column|..If the|
|00002590| 72 65 20 61 72 65 20 63 | 61 6c 63 75 6c 61 74 65 |re are c|alculate|
|000025a0| 64 20 70 6f 73 69 74 69 | 6f 6e 73 20 66 6f 72 20 |d positi|ons for |
|000025b0| 77 68 69 63 68 20 79 6f | 75 20 68 61 76 65 20 6e |which yo|u have n|
|000025c0| 6f 20 6f 62 73 65 72 76 | 65 64 20 64 61 74 61 2c |o observ|ed data,|
|000025d0| 20 6c 65 61 76 65 20 74 | 68 65 20 69 74 65 6d 73 | leave t|he items|
|000025e0| 20 62 6c 61 6e 6b 2e 0d | 41 73 20 73 68 6f 72 74 | blank..|As short|
|000025f0| 63 75 74 73 2c 20 70 72 | 65 73 73 20 22 20 74 6f |cuts, pr|ess " to|
|00002600| 20 64 75 70 6c 69 63 61 | 74 65 20 74 68 65 20 76 | duplica|te the v|
|00002610| 61 6c 75 65 20 61 62 6f | 76 65 20 74 68 65 20 63 |alue abo|ve the c|
|00002620| 75 72 72 65 6e 74 20 6f | 6e 65 2c 20 61 6e 64 20 |urrent o|ne, and |
|00002630| 3d 20 74 6f 20 73 65 74 | 20 74 68 65 20 6f 62 73 |= to set| the obs|
|00002640| 65 72 76 65 64 20 76 61 | 6c 75 65 20 65 71 75 61 |erved va|lue equa|
|00002650| 6c 20 74 6f 20 74 68 65 | 20 63 61 6c 63 75 6c 61 |l to the| calcula|
|00002660| 74 65 64 20 6f 6e 65 2e | 0d 52 65 6d 6f 76 65 20 |ted one.|.Remove |
|00002670| 61 6e 20 61 73 73 69 67 | 6e 6d 65 6e 74 20 62 79 |an assig|nment by|
|00002680| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 02 5c |........|.......\|
|00002690| 00 18 00 00 00 11 00 04 | 49 6e 74 65 6e 73 69 74 |........|Intensit|
|000026a0| 69 65 73 20 61 72 65 20 | 65 6e 74 65 72 65 64 20 |ies are |entered |
|000026b0| 69 6e 20 74 68 65 20 73 | 61 6d 65 20 77 61 79 2e |in the s|ame way.|
|000026c0| 0d 4e 6f 74 65 20 74 68 | 61 74 20 69 6e 74 65 6e |.Note th|at inten|
|000026d0| 73 69 74 69 65 73 20 68 | 61 76 65 20 74 6f 20 62 |sities h|ave to b|
|000026e0| 65 20 6e 6f 72 6d 61 6c | 69 7a 65 64 20 28 73 65 |e normal|ized (se|
|000026f0| 65 20 6d 61 6e 75 61 6c | 29 2e 0d 0d 49 66 20 79 |e manual|)...If y|
|00002700| 6f 75 20 68 61 76 65 20 | 61 20 67 72 6f 75 70 20 |ou have |a group |
|00002710| 6f 66 20 6e 65 61 72 6c | 79 20 63 6f 69 6e 63 69 |of nearl|y coinci|
|00002720| 64 65 6e 74 20 70 65 61 | 6b 73 2c 20 79 6f 75 20 |dent pea|ks, you |
|00002730| 63 61 6e 20 65 6e 74 65 | 72 20 61 20 74 6f 74 61 |can ente|r a tota|
|00002740| 6c 20 69 6e 74 65 6e 73 | 69 74 79 20 66 6f 72 20 |l intens|ity for |
|00002750| 74 68 65 20 67 72 6f 75 | 70 3a 0d 46 69 72 73 74 |the grou|p:.First|
|00002760| 20 65 6e 74 65 72 20 74 | 68 69 73 20 69 6e 74 65 | enter t|his inte|
|00002770| 6e 73 69 74 79 20 66 6f | 72 20 74 68 65 20 66 69 |nsity fo|r the fi|
|00002780| 72 73 74 20 70 65 61 6b | 20 6f 66 20 74 68 65 20 |rst peak| of the |
|00002790| 67 72 6f 75 70 2e 0d 54 | 68 65 6e 2c 20 66 6f 72 |group..T|hen, for|
|000027a0| 20 74 68 65 20 72 65 6d | 61 69 6e 69 6e 67 20 70 | the rem|aining p|
|000027b0| 65 61 6b 73 2c 20 65 6e | 74 65 72 20 74 68 65 20 |eaks, en|ter the |
|000027c0| 6e 65 67 61 74 69 76 65 | 20 6f 66 20 74 68 65 20 |negative| of the |
|000027d0| 66 69 72 73 74 20 70 65 | 61 6b 20 6e 75 6d 62 65 |first pe|ak numbe|
|000027e0| 72 20 69 6e 73 74 65 61 | 64 20 6f 66 20 61 6e 20 |r instea|d of an |
|000027f0| 69 6e 74 65 6e 73 69 74 | 79 20 76 61 6c 75 65 2e |intensit|y value.|
|00002800| 0d 41 73 20 61 20 73 68 | 6f 72 74 63 75 74 2c 20 |.As a sh|ortcut, |
|00002810| 79 6f 75 20 63 61 6e 20 | 70 72 65 73 73 20 2b 20 |you can |press + |
|00002820| 74 6f 20 6c 69 6e 6b 20 | 61 6e 20 69 6e 74 65 6e |to link |an inten|
|00002830| 73 69 74 79 20 74 6f 20 | 74 68 65 20 6f 6e 65 20 |sity to |the one |
|00002840| 61 62 6f 76 65 20 69 74 | 2e 0d 0d 46 6f 72 20 65 |above it|...For e|
|00002850| 78 61 6d 70 6c 65 2c 20 | 69 66 20 79 6f 75 20 77 |xample, |if you w|
|00002860| 61 6e 74 20 74 6f 20 74 | 65 6c 6c 20 67 4e 4d 52 |ant to t|ell gNMR|
|00002870| 20 74 68 61 74 20 70 65 | 61 6b 73 20 33 2c 20 34 | that pe|aks 3, 4|
|00002880| 00 02 00 05 00 00 00 00 | 00 00 00 00 00 00 01 aa |........|........|
|00002890| 00 55 00 00 00 08 00 4d | 00 00 00 0c 00 41 00 00 |.U.....M|.....A..|
|000028a0| 00 08 00 39 00 00 00 0c | 00 2d 00 00 00 27 38 00 |...9....|.-...'8.|
|000028b0| 00 00 0a 00 8e 01 49 ff | fe 00 01 70 63 54 41 27 |......I.|...pcTA'|
|000028c0| 27 27 37 00 00 00 0a 00 | 48 01 49 ff fe 00 01 70 |''7.....|H.I....p|
|000028d0| 63 54 41 27 26 59 6f 75 | 20 63 61 6e 20 74 6f 67 |cTA'&You| can tog|
|000028e0| 67 6c 65 20 74 68 65 20 | 70 65 61 6b 20 6f 72 64 |gle the |peak ord|
|000028f0| 65 72 69 6e 67 20 62 79 | 20 63 6c 69 63 6b 69 6e |ering by| clickin|
|00002900| 67 20 6f 6e 20 74 68 65 | 20 62 75 74 74 6f 6e 20 |g on the| button |
|00002910| 6c 61 62 65 6c 65 64 20 | 41 73 63 65 6e 64 69 6e |labeled |Ascendin|
|00002920| 67 20 6f 72 20 44 65 73 | 63 65 6e 64 69 6e 67 2e |g or Des|cending.|
|00002930| 0d 0d 43 6c 69 63 6b 20 | 6f 6e 20 74 68 65 20 62 |..Click |on the b|
|00002940| 75 74 74 6f 6e 20 6c 61 | 62 65 6c 65 64 20 47 72 |utton la|beled Gr|
|00002950| 6f 75 70 20 74 6f 20 6c | 65 74 20 67 4e 4d 52 20 |oup to l|et gNMR |
|00002960| 61 73 73 69 67 6e 20 63 | 6c 6f 73 65 6c 79 2d 73 |assign c|losely-s|
|00002970| 70 61 63 65 64 20 70 65 | 61 6b 73 20 61 73 20 6f |paced pe|aks as o|
|00002980| 6e 65 20 70 65 61 6b 3b | 20 63 6c 69 63 6b 20 6f |ne peak;| click o|
|00002990| 6e 20 55 6e 67 72 6f 75 | 70 20 74 6f 20 61 73 73 |n Ungrou|p to ass|
|000029a0| 69 67 6e 20 61 6c 6c 20 | 70 65 61 6b 73 20 69 6e |ign all |peaks in|
|000029b0| 64 69 76 69 64 75 61 6c | 6c 79 2e 0d 0d 49 66 20 |dividual|ly...If |
|000029c0| 79 6f 75 20 68 61 76 65 | 20 61 6e 20 6f 70 65 6e |you have| an open|
|000029d0| 20 50 6c 6f 74 20 77 69 | 6e 64 6f 77 20 63 6f 6e | Plot wi|ndow con|
|000029e0| 74 61 69 6e 69 6e 67 20 | 61 6e 20 65 78 70 65 72 |taining |an exper|
|000029f0| 69 6d 65 6e 74 61 6c 20 | 73 70 65 63 74 72 75 6d |imental |spectrum|
|00002a00| 2c 20 73 65 74 74 69 6e | 67 20 74 68 65 20 49 74 |, settin|g the It|
|00002a10| 65 72 61 74 65 2f 4f 70 | 74 69 6f 6e 73 20 22 48 |erate/Op|tions "H|
|00002a20| 69 67 68 6c 69 67 68 74 | 20 61 73 73 69 67 6e 6d |ighlight| assignm|
|00002a30| 65 6e 74 73 22 20 70 61 | 72 61 6d 65 74 65 72 20 |ents" pa|rameter |
|00002a40| 6c 65 74 73 20 79 6f 75 | 20 74 72 61 63 6b 20 74 |lets you| track t|
|00002a50| 68 65 20 70 65 61 6b 73 | 20 79 6f 75 20 61 72 65 |he peaks| you are|
|00002a60| 20 61 73 73 69 67 6e 69 | 6e 67 20 69 6e 20 74 68 | assigni|ng in th|
|00002a70| 65 20 50 6c 6f 74 20 77 | 69 6e 64 6f 77 2e 0d 00 |e Plot w|indow...|
|00002a80| 00 00 00 00 00 1d 00 00 | 00 88 00 00 00 0b 00 0a |........|........|
|00002a90| 00 0d 00 00 00 07 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002aa0| 41 31 30 30 30 33 00 00 | 00 05 01 bc 54 30 98 98 |A10003..|....T0..|
|00002ab0| 00 00 31 30 30 30 33 05 | a0 44 40 83 98 98 00 00 |..10003.|.D@.....|
|00002ac0| 00 04 00 00 00 0a 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002ad0| 41 31 30 30 30 34 00 00 | 00 05 01 bc 54 30 98 98 |A10004..|....T0..|
|00002ae0| 00 00 31 30 30 30 34 05 | a0 44 40 83 98 98 00 00 |..10004.|.D@.....|
|00002af0| 00 06 00 00 00 0a 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002b00| 41 31 30 30 30 35 00 00 | 00 05 01 bc 54 30 98 98 |A10005..|....T0..|
|00002b10| 00 00 31 30 30 30 35 05 | a0 44 40 83 98 98 00 00 |..10005.|.D@.....|
|00002b20| 00 08 00 00 00 0a 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002b30| 41 31 30 30 30 36 00 00 | 00 05 01 bc 54 30 98 98 |A10006..|....T0..|
|00002b40| 00 00 31 30 30 30 36 05 | a0 44 40 83 98 98 00 00 |..10006.|.D@.....|
|00002b50| 00 01 00 00 00 0c 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002b60| 41 31 30 30 30 37 00 00 | 00 05 01 bc 54 30 98 98 |A10007..|....T0..|
|00002b70| 00 00 31 30 30 30 37 05 | a0 44 40 83 98 98 00 00 |..10007.|.D@.....|
|00002b80| 00 04 00 00 00 0c 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002b90| 41 31 30 30 30 38 00 00 | 00 05 01 bc 54 30 98 98 |A10008..|....T0..|
|00002ba0| 00 00 31 30 30 30 38 05 | a0 44 40 83 98 98 00 00 |..10008.|.D@.....|
|00002bb0| 00 03 00 00 00 11 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002bc0| 41 31 30 30 30 39 00 00 | 00 05 01 bc 54 30 98 98 |A10009..|....T0..|
|00002bd0| 00 00 31 30 30 30 39 05 | a0 44 40 83 98 98 00 00 |..10009.|.D@.....|
|00002be0| 00 06 00 00 00 11 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002bf0| 41 31 30 30 31 30 00 00 | 00 05 01 bc 54 30 98 98 |A10010..|....T0..|
|00002c00| 00 00 31 30 30 31 30 05 | a0 44 40 83 98 98 00 00 |..10010.|.D@.....|
|00002c10| 00 08 00 00 00 11 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002c20| 41 31 30 30 31 31 00 00 | 00 05 01 bc 54 30 98 98 |A10011..|....T0..|
|00002c30| 00 00 31 30 30 31 31 05 | a0 44 40 83 98 98 00 00 |..10011.|.D@.....|
|00002c40| 00 0a 00 00 00 11 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00002c50| 41 31 30 30 31 32 00 00 | 00 05 01 bc 54 30 98 98 |A10012..|....T0..|
|00002c60| 00 00 31 30 30 31 32 05 | a0 44 40 83 98 98 00 00 |..10012.|.D@.....|
|00002c70| 00 0c 00 00 00 11 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00002c80| 00 02 00 03 00 00 00 00 | 00 00 00 00 00 00 00 f3 |........|........|
|00002c90| 01 0c 00 00 00 df 00 2d | 00 00 00 08 00 25 00 00 |.......-|.....%..|
|00002ca0| 00 08 01 71 00 00 01 70 | 63 54 41 27 28 57 68 65 |...q...p|cTA'(Whe|
|00002cb0| 6e 20 79 6f 75 20 68 61 | 76 65 20 70 61 73 73 65 |n you ha|ve passe|
|00002cc0| 64 20 74 68 65 20 6c 61 | 73 74 20 70 65 61 6b 2c |d the la|st peak,|
|00002cd0| 20 79 6f 75 20 77 69 6c | 6c 20 68 65 61 72 20 61 | you wil|l hear a|
|00002ce0| 20 62 65 65 70 20 61 6e | 64 20 61 73 73 69 67 6e | beep an|d assign|
|00002cf0| 6d 65 6e 74 20 77 69 6c | 6c 20 72 65 73 74 61 72 |ment wil|l restar|
|00002d00| 74 20 61 74 20 74 68 65 | 20 66 69 72 73 74 20 70 |t at the| first p|
|00002d10| 65 61 6b 20 69 6e 20 74 | 68 65 20 77 69 6e 64 6f |eak in t|he windo|
|00002d20| 77 2e 0d 41 74 20 61 6e | 79 20 70 6f 69 6e 74 2c |w..At an|y point,|
|00002d30| 20 79 6f 75 20 63 61 6e | 20 73 74 6f 70 20 61 73 | you can| stop as|
|00002d40| 73 69 67 6e 6d 65 6e 74 | 73 20 61 6e 64 20 72 65 |signment|s and re|
|00002d50| 74 75 72 6e 20 74 6f 20 | 6e 6f 72 6d 61 6c 20 73 |turn to |normal s|
|00002d60| 70 65 63 74 72 75 6d 20 | 64 69 73 70 6c 61 79 20 |pectrum |display |
|00002d70| 62 79 20 70 72 65 73 73 | 69 6e 67 20 74 68 65 20 |by press|ing the |
|00002d80| 45 73 63 61 70 65 20 6b | 65 79 2e 0d 57 68 65 6e |Escape k|ey..When|
|00002d90| 20 79 6f 75 20 68 61 76 | 65 20 73 65 6c 65 63 74 | you hav|e select|
|00002da0| 65 64 20 61 20 50 6c 6f | 74 20 77 69 6e 64 6f 77 |ed a Plo|t window|
|00002db0| 20 66 6f 72 20 6d 6f 75 | 73 65 20 61 73 73 69 67 | for mou|se assig|
|00002dc0| 6e 6d 65 6e 74 2c 20 61 | 20 76 65 72 74 69 63 61 |nment, a| vertica|
|00002dd0| 6c 20 62 61 72 20 61 70 | 70 65 61 72 73 20 69 6e |l bar ap|pears in|
|00002de0| 20 74 68 65 20 63 61 6c | 63 75 6c 61 74 65 64 20 | the cal|culated |
|00002df0| 73 70 65 63 74 72 75 6d | 2e 0d 49 66 20 79 6f 75 |spectrum|..If you|
|00002e00| 20 6d 6f 76 65 20 74 68 | 65 20 6d 6f 75 73 65 20 | move th|e mouse |
|00002e10| 6f 76 65 72 20 74 68 65 | 20 6f 62 73 65 72 76 65 |over the| observe|
|00002e20| 64 20 73 70 65 63 74 72 | 75 6d 2c 20 61 20 73 69 |d spectr|um, a si|
|00002e30| 6d 69 6c 61 72 20 62 61 | 72 20 77 69 6c 6c 20 66 |milar ba|r will f|
|00002e40| 6f 6c 6c 6f 77 20 69 74 | 2e 0d 43 6c 69 63 6b 20 |ollow it|..Click |
|00002e50| 74 68 65 20 6d 6f 75 73 | 65 20 6f 72 20 75 73 65 |the mous|e or use|
|00002e60| 20 74 68 65 20 6b 65 79 | 62 6f 61 72 64 20 74 6f | the key|board to|
|00002e70| 20 61 73 73 69 67 6e 20 | 70 65 61 6b 73 3a 0d 00 | assign |peaks:..|
|00002e80| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 01 ed |........|........|
|00002e90| 00 12 20 a5 20 45 6e 74 | 65 72 2c 20 27 41 27 2c |.. . Ent|er, 'A',|
|00002ea0| 20 6c 65 66 74 20 6d 6f | 75 73 65 20 62 75 74 74 | left mo|use butt|
|00002eb0| 6f 6e 0d 20 20 20 20 20 | 20 41 73 73 69 67 6e 20 |on.     | Assign |
|00002ec0| 70 65 61 6b 2c 20 6d 6f | 76 65 20 74 6f 20 6e 65 |peak, mo|ve to ne|
|00002ed0| 78 74 20 70 65 61 6b 0d | 20 a5 20 27 44 27 0d 20 |xt peak.| . 'D'. |
|00002ee0| 20 20 20 20 20 44 65 61 | 73 73 69 67 6e 20 70 65 |     Dea|ssign pe|
|00002ef0| 61 6b 2c 20 6d 6f 76 65 | 20 74 6f 20 6e 65 78 74 |ak, move| to next|
|00002f00| 20 70 65 61 6b 0d 20 a5 | 20 27 53 27 2c 20 53 70 | peak. .| 'S', Sp|
|00002f10| 61 63 65 0d 20 20 20 20 | 20 20 53 6b 69 70 20 70 |ace.    |  Skip p|
|00002f20| 65 61 6b 2c 20 6d 6f 76 | 65 20 74 6f 20 6e 65 78 |eak, mov|e to nex|
|00002f30| 74 20 70 65 61 6b 0d 20 | a5 20 27 4e 27 2c 20 27 |t peak. |. 'N', '|
|00002f40| 2b 27 0d 20 20 20 20 20 | 20 53 6b 69 70 20 70 65 |+'.     | Skip pe|
|00002f50| 61 6b 2c 20 63 6f 6e 74 | 69 6e 75 65 20 61 73 73 |ak, cont|inue ass|
|00002f60| 69 67 6e 69 6e 67 20 66 | 72 6f 6d 20 72 69 67 68 |igning f|rom righ|
|00002f70| 74 20 28 68 69 67 68 2d | 66 69 65 6c 64 29 20 74 |t (high-|field) t|
|00002f80| 6f 20 6c 65 66 74 2e 0d | 20 a5 20 27 50 27 2c 20 |o left..| . 'P', |
|00002f90| 27 2d 27 0d 20 20 20 20 | 20 20 53 6b 69 70 20 70 |'-'.    |  Skip p|
|00002fa0| 65 61 6b 2c 20 63 6f 6e | 74 69 6e 75 65 20 61 73 |eak, con|tinue as|
|00002fb0| 73 69 67 6e 69 6e 67 20 | 66 72 6f 6d 20 6c 65 66 |signing |from lef|
|00002fc0| 74 20 28 6c 6f 77 2d 66 | 69 65 6c 64 29 20 74 6f |t (low-f|ield) to|
|00002fd0| 20 72 69 67 68 74 2e 0d | 20 a5 20 27 46 27 2c 20 | right..| . 'F', |
|00002fe0| 48 6f 6d 65 0d 20 20 20 | 20 20 20 52 65 73 74 61 |Home.   |   Resta|
|00002ff0| 72 74 20 61 73 73 69 67 | 6e 6d 65 6e 74 73 20 61 |rt assig|nments a|
|00003000| 74 20 74 68 65 20 6c 65 | 66 74 20 28 68 69 67 68 |t the le|ft (high|
|00003010| 2d 66 69 65 6c 64 29 20 | 65 6e 64 20 6f 66 20 74 |-field) |end of t|
|00003020| 68 65 20 73 70 65 63 74 | 72 75 6d 0d 20 a5 20 27 |he spect|rum. . '|
|00003030| 4c 27 2c 20 45 6e 64 0d | 20 20 20 20 20 20 52 65 |L', End.|      Re|
|00003040| 73 74 61 72 74 20 61 73 | 73 69 67 6e 6d 65 6e 74 |start as|signment|
|00003050| 73 20 61 74 20 74 68 65 | 20 72 69 67 68 74 20 28 |s at the| right (|
|00003060| 6c 6f 77 2d 66 69 65 6c | 64 29 20 65 6e 64 20 6f |low-fiel|d) end o|
|00003070| 66 20 74 68 65 20 73 70 | 65 63 74 72 75 6d 0d 00 |f the sp|ectrum..|
|00003080| 00 02 00 04 00 00 00 00 | 00 00 00 00 00 00 01 38 |........|.......8|
|00003090| 00 c7 00 00 00 80 00 47 | 00 00 00 0c 00 3b 00 00 |.......G|.....;..|
|000030a0| 00 08 00 33 00 00 00 74 | 00 fd 00 00 00 57 68 65 |...3...t|.....Whe|
|000030b0| 6e 20 79 00 01 70 63 54 | 41 27 29 27 39 00 00 00 |n y..pcT|A')'9...|
|000030c0| 0a 00 72 01 49 ff fe 56 | 61 72 69 61 62 6c 65 20 |..r.I..V|ariable |
|000030d0| 6e 61 6d 65 73 20 73 74 | 61 72 74 69 6e 67 20 77 |names st|arting w|
|000030e0| 69 74 68 20 61 20 2d 20 | 77 69 6c 6c 20 62 65 20 |ith a - |will be |
|000030f0| 6b 65 70 74 20 63 6f 6e | 73 74 61 6e 74 20 69 6e |kept con|stant in|
|00003100| 20 69 74 65 72 61 74 69 | 6f 6e 2e 0d 0d 41 6c 6c | iterati|on...All|
|00003110| 20 6f 74 68 65 72 20 6e | 61 6d 65 64 20 70 61 72 | other n|amed par|
|00003120| 61 6d 65 74 65 72 73 20 | 77 69 6c 6c 20 62 65 20 |ameters |will be |
|00003130| 6f 70 74 69 6d 69 7a 65 | 64 20 69 66 20 70 6f 73 |optimize|d if pos|
|00003140| 73 69 62 6c 65 2e 0d 54 | 68 65 20 71 75 69 63 6b |sible..T|he quick|
|00003150| 65 73 74 20 77 61 79 20 | 74 6f 20 63 6c 65 61 72 |est way |to clear|
|00003160| 20 61 6c 6c 20 61 73 73 | 69 67 6e 6d 65 6e 74 73 | all ass|ignments|
|00003170| 20 69 73 20 74 68 72 6f | 75 67 68 20 74 68 65 20 | is thro|ugh the |
|00003180| 49 74 65 72 61 74 65 2f | 41 73 73 69 67 6e 6d 65 |Iterate/|Assignme|
|00003190| 6e 74 73 20 6d 65 6e 75 | 20 63 68 6f 69 63 65 2e |nts menu| choice.|
|000031a0| 0d 49 6e 20 74 68 65 20 | 64 69 61 6c 6f 67 20 74 |.In the |dialog t|
|000031b0| 68 61 74 20 61 70 70 65 | 61 72 73 2c 20 73 69 6d |hat appe|ars, sim|
|000031c0| 70 6c 79 20 63 6c 69 63 | 6b 20 74 68 65 20 22 43 |ply clic|k the "C|
|000031d0| 6c 65 61 72 20 41 6c 6c | 22 20 62 75 74 74 6f 6e |lear All|" button|
|000031e0| 2e 0d 0d 49 66 20 79 6f | 75 20 77 61 6e 74 20 74 |...If yo|u want t|
|000031f0| 6f 20 63 6c 65 61 72 20 | 61 73 73 69 67 6e 6d 65 |o clear |assignme|
|00003200| 6e 74 73 20 66 6f 72 20 | 61 20 73 69 6e 67 6c 65 |nts for |a single|
|00003210| 20 6e 75 63 6c 65 75 73 | 20 6f 6e 6c 79 2c 20 66 | nucleus| only, f|
|00003220| 69 72 73 74 20 73 65 6c | 65 63 74 20 69 74 20 75 |irst sel|ect it u|
|00003230| 73 69 6e 67 20 65 69 74 | 68 65 72 20 74 68 65 20 |sing eit|her the |
|00003240| 22 4e 75 63 6c 65 75 73 | 22 20 6f 72 20 22 57 69 |"Nucleus|" or "Wi|
|00003250| 6e 64 6f 77 22 20 6c 69 | 73 74 2c 20 61 6e 64 20 |ndow" li|st, and |
|00003260| 74 68 65 6e 20 63 6c 69 | 63 6b 20 74 68 65 20 22 |then cli|ck the "|
|00003270| 43 6c 65 61 72 22 20 62 | 75 74 74 6f 6e 2e 0d 00 |Clear" b|utton...|
|00003280| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 01 ee |........|........|
|00003290| 00 12 49 6e 20 74 68 65 | 20 4d 6f 6c 65 63 75 6c |..In the| Molecul|
|000032a0| 65 20 77 69 6e 64 6f 77 | 2c 20 79 6f 75 20 63 61 |e window|, you ca|
|000032b0| 6e 20 61 73 73 69 67 6e | 20 6e 61 6d 65 73 20 74 |n assign| names t|
|000032c0| 6f 20 61 6c 6c 20 73 68 | 69 66 74 73 2c 20 6c 69 |o all sh|ifts, li|
|000032d0| 6e 65 20 77 69 64 74 68 | 73 20 61 6e 64 20 63 6f |ne width|s and co|
|000032e0| 75 70 6c 69 6e 67 20 63 | 6f 6e 73 74 61 6e 74 73 |upling c|onstants|
|000032f0| 2e 0d 54 68 65 73 65 20 | 6e 61 6d 65 73 20 61 72 |..These |names ar|
|00003300| 65 20 65 6e 74 65 72 65 | 64 20 69 6e 20 66 69 65 |e entere|d in fie|
|00003310| 6c 64 73 20 69 6d 6d 65 | 64 69 61 74 65 6c 79 20 |lds imme|diately |
|00003320| 62 65 6c 6f 77 20 74 68 | 65 20 70 61 72 61 6d 65 |below th|e parame|
|00003330| 74 65 72 20 74 6f 20 77 | 68 69 63 68 20 74 68 65 |ter to w|hich the|
|00003340| 79 20 62 65 6c 6f 6e 67 | 2e 0d 4e 61 6d 65 73 20 |y belong|..Names |
|00003350| 63 61 6e 20 62 65 20 75 | 70 20 74 6f 20 38 20 63 |can be u|p to 8 c|
|00003360| 68 61 72 61 63 74 65 72 | 73 2c 20 61 6e 64 20 73 |haracter|s, and s|
|00003370| 68 6f 75 6c 64 20 6e 6f | 74 20 63 6f 6e 74 61 69 |hould no|t contai|
|00003380| 6e 20 65 6d 62 65 64 64 | 65 64 20 73 70 61 63 65 |n embedd|ed space|
|00003390| 73 3b 20 22 6a 22 20 61 | 6e 64 20 22 4a 22 20 61 |s; "j" a|nd "J" a|
|000033a0| 72 65 20 63 6f 6e 73 69 | 64 65 72 65 64 20 74 6f |re consi|dered to|
|000033b0| 20 62 65 20 64 69 66 66 | 65 72 65 6e 74 2e 0d 49 | be diff|erent..I|
|000033c0| 66 20 74 77 6f 20 70 61 | 72 61 6d 65 74 65 72 73 |f two pa|rameters|
|000033d0| 20 61 72 65 20 67 69 76 | 65 6e 20 74 68 65 20 73 | are giv|en the s|
|000033e0| 61 6d 65 20 6e 61 6d 65 | 2c 20 74 68 65 79 20 61 |ame name|, they a|
|000033f0| 72 65 20 22 6c 69 6e 6b | 65 64 22 3a 20 63 68 61 |re "link|ed": cha|
|00003400| 6e 67 65 73 20 6d 61 64 | 65 20 74 6f 20 6f 6e 65 |nges mad|e to one|
|00003410| 20 6f 66 20 74 68 65 6d | 20 77 69 6c 6c 20 69 6d | of them| will im|
|00003420| 6d 65 64 69 61 74 65 6c | 79 20 70 72 6f 70 61 67 |mediatel|y propag|
|00003430| 61 74 65 20 74 6f 20 74 | 68 65 20 6f 74 68 65 72 |ate to t|he other|
|00003440| 2e 0d 54 68 69 73 20 6d | 61 6b 65 73 20 69 74 20 |..This m|akes it |
|00003450| 65 61 73 79 20 74 6f 20 | 6b 65 65 70 20 73 79 6d |easy to |keep sym|
|00003460| 6d 65 74 72 79 2d 72 65 | 6c 61 74 65 64 20 70 61 |metry-re|lated pa|
|00003470| 72 61 6d 65 74 65 72 73 | 20 65 71 75 61 6c 2e 0d |rameters| equal..|
|00003480| 00 00 00 00 00 89 00 00 | 00 0d 00 00 00 28 00 0a |........|.....(..|
|00003490| 00 00 00 00 00 19 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000034a0| 54 31 30 30 33 39 00 00 | 00 05 01 bc 54 30 98 98 |T10039..|....T0..|
|000034b0| 00 00 31 30 30 33 39 05 | a0 44 40 83 98 98 00 00 |..10039.|.D@.....|
|000034c0| 00 01 00 00 00 18 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|000034d0| 54 31 30 30 34 30 00 00 | 00 05 01 bc 54 30 98 98 |T10040..|....T0..|
|000034e0| 00 00 31 30 30 34 30 05 | a0 44 40 83 98 98 00 00 |..10040.|.D@.....|
|000034f0| 00 00 00 00 00 1f 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00003500| 54 31 30 30 34 31 00 00 | 00 05 01 bc 54 30 98 98 |T10041..|....T0..|
|00003510| 00 00 31 30 30 34 31 05 | a0 44 40 83 98 98 00 00 |..10041.|.D@.....|
|00003520| 00 00 00 00 00 20 00 00 | 0d 52 73 52 63 54 45 58 |..... ..|.RsRcTEX|
|00003530| 54 31 30 30 34 32 00 00 | 00 05 01 bc 54 30 98 98 |T10042..|....T0..|
|00003540| 00 00 31 30 30 34 32 05 | a0 44 40 83 98 98 00 00 |..10042.|.D@.....|
|00003550| 00 00 00 00 00 21 00 00 | 0d 52 73 52 63 54 45 58 |.....!..|.RsRcTEX|
|00003560| 54 31 30 30 34 33 00 00 | 00 05 01 bc 54 30 98 98 |T10043..|....T0..|
|00003570| 00 00 31 30 30 34 33 05 | a0 44 40 83 98 98 00 00 |..10043.|.D@.....|
|00003580| 00 01 00 00 00 21 00 00 | 0d 52 73 52 63 54 45 58 |.....!..|.RsRcTEX|
|00003590| 54 31 30 30 34 34 00 00 | 00 05 01 bc 54 30 98 98 |T10044..|....T0..|
|000035a0| 00 00 31 30 30 34 34 05 | a0 44 40 83 98 98 00 00 |..10044.|.D@.....|
|000035b0| 00 00 00 00 00 22 00 00 | 0d 52 73 52 63 54 45 58 |....."..|.RsRcTEX|
|000035c0| 54 31 30 30 34 35 00 00 | 00 05 01 bc 54 30 98 98 |T10045..|....T0..|
|000035d0| 00 00 31 30 30 34 35 05 | a0 44 40 83 98 98 00 00 |..10045.|.D@.....|
|000035e0| 00 00 00 00 00 23 00 00 | 0d 52 73 52 63 54 45 58 |.....#..|.RsRcTEX|
|000035f0| 54 31 30 30 34 36 00 00 | 02 35 01 bc 54 30 00 0f |T10046..|.5..T0..|
|00003600| 7e 40 31 30 30 34 36 05 | a0 44 40 83 98 98 00 00 |~@10046.|.D@.....|
|00003610| 00 00 00 00 00 24 00 00 | 0d 52 73 52 63 54 45 58 |.....$..|.RsRcTEX|
|00003620| 54 31 30 30 34 37 00 00 | 00 05 01 bc 54 30 98 98 |T10047..|....T0..|
|00003630| 00 00 31 30 30 34 37 05 | a0 44 40 83 98 98 00 00 |..10047.|.D@.....|
|00003640| 00 00 00 00 00 25 00 00 | 0d 52 73 52 63 54 45 58 |.....%..|.RsRcTEX|
|00003650| 54 31 30 30 34 38 00 00 | 02 4e 01 bc 54 30 00 0f |T10048..|.N..T0..|
|00003660| 7e 40 31 30 30 34 38 05 | a0 44 40 83 98 98 00 00 |~@10048.|.D@.....|
|00003670| 00 00 00 00 00 26 00 00 | 00 00 00 00 00 00 00 00 |.....&..|........|
|00003680| 00 00 00 00 00 1d 00 00 | 00 0b 00 00 00 29 00 0a |........|.....)..|
|00003690| 00 05 00 00 00 20 00 00 | 0d 52 73 52 63 70 70 55 |..... ..|.RsRcppU|
|000036a0| 41 31 30 30 32 35 00 00 | 00 05 01 bc 54 30 98 98 |A10025..|....T0..|
|000036b0| 00 00 31 30 30 32 35 05 | a0 44 40 83 98 98 00 00 |..10025.|.D@.....|
|000036c0| 00 07 00 00 00 20 00 00 | 0d 52 73 52 63 70 70 55 |..... ..|.RsRcppU|
|000036d0| 41 31 30 30 32 36 00 00 | 00 05 01 bc 54 30 98 98 |A10026..|....T0..|
|000036e0| 00 00 31 30 30 32 36 05 | a0 44 40 83 98 98 00 00 |..10026.|.D@.....|
|000036f0| 00 03 00 00 00 22 00 00 | 0d 52 73 52 63 70 70 55 |....."..|.RsRcppU|
|00003700| 41 31 30 30 32 37 00 00 | 00 05 01 bc 54 30 98 98 |A10027..|....T0..|
|00003710| 00 00 31 30 30 32 37 05 | a0 44 40 83 98 98 00 00 |..10027.|.D@.....|
|00003720| 00 05 00 00 00 22 00 00 | 0d 52 73 52 63 70 70 55 |....."..|.RsRcppU|
|00003730| 41 31 30 30 32 38 00 00 | 00 05 01 bc 54 30 98 98 |A10028..|....T0..|
|00003740| 00 00 31 30 30 32 38 05 | a0 44 40 83 98 98 00 00 |..10028.|.D@.....|
|00003750| 00 06 00 00 00 22 00 00 | 0d 52 73 52 63 70 70 55 |....."..|.RsRcppU|
|00003760| 41 31 30 30 32 39 00 00 | 00 05 01 bc 54 30 98 98 |A10029..|....T0..|
|00003770| 00 00 31 30 30 32 39 05 | a0 44 40 83 98 98 00 00 |..10029.|.D@.....|
|00003780| 00 02 00 00 00 27 00 00 | 0d 52 73 52 63 70 70 55 |.....'..|.RsRcppU|
|00003790| 41 31 30 30 33 30 00 00 | 00 05 01 bc 54 30 98 98 |A10030..|....T0..|
|000037a0| 00 00 31 30 30 33 30 05 | a0 44 40 83 98 98 00 00 |..10030.|.D@.....|
|000037b0| 00 04 00 00 00 27 00 00 | 0d 52 73 52 63 70 70 55 |.....'..|.RsRcppU|
|000037c0| 41 31 30 30 33 31 00 00 | 00 05 01 bc 54 30 98 98 |A10031..|....T0..|
|000037d0| 00 00 31 30 30 33 31 05 | a0 44 40 83 98 98 00 00 |..10031.|.D@.....|
|000037e0| 00 02 00 00 00 2b 00 00 | 0d 52 73 52 63 70 70 55 |.....+..|.RsRcppU|
|000037f0| 41 31 30 30 33 32 00 00 | 00 05 01 bc 54 30 98 98 |A10032..|....T0..|
|00003800| 00 00 31 30 30 33 32 05 | a0 44 40 83 98 98 00 00 |..10032.|.D@.....|
|00003810| 00 03 00 00 00 30 00 00 | 0d 52 73 52 63 70 70 55 |.....0..|.RsRcppU|
|00003820| 41 31 30 30 33 33 00 00 | 00 05 01 bc 54 30 98 98 |A10033..|....T0..|
|00003830| 00 00 31 30 30 33 33 05 | a0 44 40 83 98 98 00 00 |..10033.|.D@.....|
|00003840| 00 05 00 00 00 30 00 00 | 0d 52 73 52 63 70 70 55 |.....0..|.RsRcppU|
|00003850| 41 31 30 30 33 34 00 00 | 00 05 01 bc 54 30 98 98 |A10034..|....T0..|
|00003860| 00 00 31 30 30 33 34 05 | a0 44 40 83 98 98 00 00 |..10034.|.D@.....|
|00003870| 00 08 00 00 00 30 00 00 | 00 00 00 00 00 00 00 00 |.....0..|........|
|00003880| 00 00 00 00 00 9b 00 00 | 00 06 00 00 00 2c 00 0a |........|.....,..|
|00003890| 00 02 00 00 00 18 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|000038a0| 41 31 30 30 32 36 00 00 | 00 05 01 bc 54 30 98 98 |A10026..|....T0..|
|000038b0| 00 00 31 30 30 32 36 05 | a0 44 40 83 98 98 00 00 |..10026.|.D@.....|
|000038c0| 00 01 00 00 00 1f 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|000038d0| 41 31 30 30 32 37 00 00 | 00 05 01 bc 54 30 98 98 |A10027..|....T0..|
|000038e0| 00 00 31 30 30 32 37 05 | a0 44 40 83 98 98 00 00 |..10027.|.D@.....|
|000038f0| 00 03 00 00 00 1f 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00003900| 41 31 30 30 32 38 00 00 | 00 05 01 bc 54 30 98 98 |A10028..|....T0..|
|00003910| 00 00 31 30 30 32 38 05 | a0 44 40 83 98 98 00 00 |..10028.|.D@.....|
|00003920| 00 05 00 00 00 1f 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00003930| 41 31 30 30 32 39 00 00 | 00 05 01 bc 54 30 98 98 |A10029..|....T0..|
|00003940| 00 00 31 30 30 32 39 05 | a0 44 40 83 98 98 00 00 |..10029.|.D@.....|
|00003950| 00 07 00 00 00 1f 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00003960| 41 31 30 30 33 30 00 00 | 00 05 01 bc 54 30 98 98 |A10030..|....T0..|
|00003970| 00 00 31 30 30 33 30 05 | a0 44 40 83 98 98 00 00 |..10030.|.D@.....|
|00003980| 00 02 00 00 00 20 00 00 | 0d 52 73 52 63 70 63 54 |..... ..|.RsRcpcT|
|00003990| 41 31 30 30 33 31 00 00 | 00 05 01 bc 54 30 98 98 |A10031..|....T0..|
|000039a0| 00 00 31 30 30 33 31 05 | a0 44 40 83 98 98 00 00 |..10031.|.D@.....|
|000039b0| 00 04 00 00 00 20 00 00 | 0d 52 73 52 63 70 63 54 |..... ..|.RsRcpcT|
|000039c0| 41 31 30 30 33 32 00 00 | 00 05 01 bc 54 30 98 98 |A10032..|....T0..|
|000039d0| 00 00 31 30 30 33 32 05 | a0 44 40 83 98 98 00 00 |..10032.|.D@.....|
|000039e0| 00 06 00 00 00 20 00 00 | 0d 52 73 52 63 70 63 54 |..... ..|.RsRcpcT|
|000039f0| 41 31 30 30 33 33 00 00 | 00 05 01 bc 54 30 98 98 |A10033..|....T0..|
|00003a00| 00 00 31 30 30 33 33 05 | a0 44 40 83 98 98 00 00 |..10033.|.D@.....|
|00003a10| 00 02 00 00 00 22 00 00 | 0d 52 73 52 63 70 63 54 |....."..|.RsRcpcT|
|00003a20| 41 31 30 30 33 34 00 00 | 00 05 01 bc 54 30 98 98 |A10034..|....T0..|
|00003a30| 00 00 31 30 30 33 34 05 | a0 44 40 83 98 98 00 00 |..10034.|.D@.....|
|00003a40| 00 04 00 00 00 22 00 00 | 0d 52 73 52 63 70 63 54 |....."..|.RsRcpcT|
|00003a50| 41 31 30 30 33 35 00 00 | 00 05 01 bc 54 30 98 98 |A10035..|....T0..|
|00003a60| 00 00 31 30 30 33 35 05 | a0 44 40 83 98 98 00 00 |..10035.|.D@.....|
|00003a70| 00 01 00 00 00 23 00 00 | 00 00 00 00 00 00 00 00 |.....#..|........|
|00003a80| 00 01 00 00 00 1e 00 00 | 00 9b 00 00 00 89 00 0a |........|........|
|00003a90| 00 00 00 3a 00 00 00 00 | 0d 52 73 52 63 70 63 54 |...:....|.RsRcpcT|
|00003aa0| 41 31 30 30 35 38 00 00 | 00 05 01 bc 54 30 98 98 |A10058..|....T0..|
|00003ab0| 00 00 31 30 30 35 38 05 | a0 44 40 83 98 98 00 00 |..10058.|.D@.....|
|00003ac0| 00 00 00 4a 00 00 00 00 | 0d 52 73 52 63 70 63 54 |...J....|.RsRcpcT|
|00003ad0| 41 31 30 30 36 39 00 00 | 00 05 01 bc 54 30 98 98 |A10069..|....T0..|
|00003ae0| 00 00 31 30 30 36 39 05 | a0 44 40 83 98 98 00 00 |..10069.|.D@.....|
|00003af0| 00 00 00 58 00 00 00 00 | 0d 52 73 52 63 70 63 54 |...X....|.RsRcpcT|
|00003b00| 41 31 30 30 38 30 00 00 | 00 05 01 bc 54 30 98 98 |A10080..|....T0..|
|00003b10| 00 00 31 30 30 38 30 05 | a0 44 40 83 98 98 00 00 |..10080.|.D@.....|
|00003b20| 00 00 00 67 00 00 00 00 | 0d 52 73 52 63 70 63 54 |...g....|.RsRcpcT|
|00003b30| 41 31 30 30 39 31 00 00 | 00 05 01 bc 54 30 98 98 |A10091..|....T0..|
|00003b40| 00 00 31 30 30 39 31 05 | a0 44 40 83 98 98 00 00 |..10091.|.D@.....|
|00003b50| 00 00 00 76 00 00 00 00 | 0d 52 73 52 63 70 63 54 |...v....|.RsRcpcT|
|00003b60| 41 31 30 30 39 37 00 00 | 00 05 01 bc 54 30 98 98 |A10097..|....T0..|
|00003b70| 00 00 31 30 30 39 37 05 | a0 44 40 83 98 98 00 00 |..10097.|.D@.....|
|00003b80| 00 00 00 83 00 00 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00003b90| 41 31 30 31 30 33 00 00 | 00 05 01 bc 54 30 98 98 |A10103..|....T0..|
|00003ba0| 00 00 31 30 31 30 33 05 | a0 44 40 83 98 98 00 00 |..10103.|.D@.....|
|00003bb0| 00 00 00 88 00 00 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00003bc0| 41 31 30 30 30 32 00 00 | 00 05 01 bc 54 30 98 98 |A10002..|....T0..|
|00003bd0| 00 00 31 30 30 30 32 05 | a0 44 40 83 98 98 00 00 |..10002.|.D@.....|
|00003be0| 00 00 00 15 00 00 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00003bf0| 41 31 30 30 31 33 00 00 | 00 05 01 bc 54 30 98 98 |A10013..|....T0..|
|00003c00| 00 00 31 30 30 31 33 05 | a0 44 40 83 98 98 00 00 |..10013.|.D@.....|
|00003c10| 00 00 00 0b 00 00 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00003c20| 41 31 30 30 32 34 00 00 | 00 05 01 bc 54 30 98 98 |A10024..|....T0..|
|00003c30| 00 00 31 30 30 32 34 05 | a0 44 40 83 98 98 00 00 |..10024.|.D@.....|
|00003c40| 00 00 00 1b 00 00 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00003c50| 41 31 30 30 33 35 00 00 | 00 05 01 bc 54 30 98 98 |A10035..|....T0..|
|00003c60| 00 00 31 30 30 33 35 05 | a0 44 40 83 98 98 00 00 |..10035.|.D@.....|
|00003c70| 00 00 00 29 00 00 00 00 | 00 00 00 00 00 00 00 00 |...)....|........|
|00003c80| 00 01 00 00 00 00 00 00 | 00 00 00 00 00 00 00 05 |........|........|
|00003c90| 00 00 00 04 00 00 00 00 | 0d 52 73 52 63 61 63 51 |........|.RsRcacQ|
|00003ca0| 55 31 30 30 31 36 00 00 | 00 05 01 bc 57 10 98 98 |U10016..|....W...|
|00003cb0| 00 00 31 30 30 31 36 05 | a0 44 40 83 98 98 00 00 |..10016.|.D@.....|
|00003cc0| 00 00 00 9b 00 00 00 00 | 0d 52 73 52 63 70 63 54 |........|.RsRcpcT|
|00003cd0| 41 31 30 30 34 37 00 00 | 00 05 01 bc 54 30 98 98 |A10047..|....T0..|
|00003ce0| 00 00 31 30 30 34 37 05 | a0 44 40 83 98 98 00 00 |..10047.|.D@.....|
|00003cf0| 00 00 00 1d 00 00 00 00 | 0d 52 73 52 63 70 70 55 |........|.RsRcppU|
|00003d00| 41 31 30 30 34 36 00 00 | 00 05 01 bc 54 30 98 98 |A10046..|....T0..|
|00003d10| 00 00 31 30 30 34 36 05 | a0 44 40 83 98 98 00 00 |..10046.|.D@.....|
|00003d20| 00 00 00 89 00 00 00 00 | 0d 52 73 52 63 54 45 58 |........|.RsRcTEX|
|00003d30| 54 31 30 30 34 39 00 00 | 00 05 01 bc 54 30 98 98 |T10049..|....T0..|
|00003d40| 00 00 31 30 30 34 39 05 | a0 44 40 83 98 98 00 00 |..10049.|.D@.....|
|00003d50| 00 00 00 56 00 00 00 00 | 0d 52 73 52 63 54 45 58 |...V....|.RsRcTEX|
|00003d60| 54 31 30 31 31 35 00 00 | 00 05 01 bc 54 30 98 98 |T10115..|....T0..|
|00003d70| 00 00 31 30 31 31 35 05 | a0 44 40 83 98 98 00 00 |..10115.|.D@.....|
|00003d80| 00 00 00 99 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003d90| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003da0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003db0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003dc0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003dd0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003de0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003df0| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003e00| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003e10| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003e20| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003e30| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003e40| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003e50| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003e60| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003e70| 00 00 00 00 00 00 00 00 | 00 00 00 00 00 00 00 00 |........|........|
|00003e80| 00 02 00 09 00 00 00 00 | 00 00 00 00 00 00 01 68 |........|.......h|
|00003e90| 00 97 00 00 00 0c 00 8b | 00 00 00 08 00 83 00 00 |........|........|
|00003ea0| 00 0c 00 77 00 00 00 08 | 00 6f 00 00 00 0c 00 63 |...w....|.o.....c|
|00003eb0| 00 00 00 08 00 5b 00 00 | 00 0c 00 4f 00 00 00 08 |.....[..|...O....|
|00003ec0| 00 47 74 68 65 20 6c 00 | 01 70 63 54 41 27 2d 27 |.Gthe l.|.pcTA'-'|
|00003ed0| 3d 00 00 00 0a 00 8e 01 | 49 ff fe 00 01 70 63 54 |=.......|I....pcT|
|00003ee0| 41 27 2c 27 3c 00 00 00 | 0a 00 80 01 49 ff fe 00 |A','<...|....I...|
|00003ef0| 01 70 63 54 41 27 2b 27 | 3b 00 00 00 0a 00 48 01 |.pcTA'+'|;.....H.|
|00003f00| 49 ff fe 00 01 70 63 54 | 41 27 2a 27 3a 00 00 00 |I....pcT|A'*':...|
|00003f10| 0a 00 64 01 49 ff fe 59 | 6f 75 20 63 61 6e 20 61 |..d.I..Y|ou can a|
|00003f20| 73 6b 20 67 4e 4d 52 20 | 74 6f 20 61 75 74 6f 6d |sk gNMR |to autom|
|00003f30| 61 74 69 63 61 6c 6c 79 | 20 67 65 6e 65 72 61 74 |atically| generat|
|00003f40| 65 20 6e 61 6d 65 73 20 | 62 61 73 65 64 20 6f 6e |e names |based on|
|00003f50| 20 74 68 65 20 6e 75 6d | 65 72 69 63 20 76 61 6c | the num|eric val|
|00003f60| 75 65 73 20 6f 66 20 70 | 61 72 61 6d 65 74 65 72 |ues of p|arameter|
|00003f70| 73 62 79 20 73 65 6c 65 | 63 74 69 6e 67 20 45 64 |sby sele|cting Ed|
|00003f80| 69 74 2f 41 75 74 6f 64 | 65 66 69 6e 65 20 6d 65 |it/Autod|efine me|
|00003f90| 6e 75 20 63 68 6f 69 63 | 65 2e 0d 0d 59 6f 75 20 |nu choic|e...You |
|00003fa0| 63 61 6e 20 6c 65 74 20 | 67 4e 4d 52 20 67 65 6e |can let |gNMR gen|
|00003fb0| 65 72 61 74 65 20 6e 61 | 6d 65 73 20 66 6f 72 20 |erate na|mes for |
|00003fc0| 61 6c 6c 20 73 68 69 66 | 74 73 20 61 6e 64 20 63 |all shif|ts and c|
|00003fd0| 6f 75 70 6c 69 6e 67 20 | 63 6f 6e 73 74 61 6e 74 |oupling |constant|
|00003fe0| 73 2c 20 6f 72 20 6a 75 | 73 74 20 66 6f 72 20 74 |s, or ju|st for t|
|00003ff0| 68 6f 73 65 20 68 61 76 | 69 6e 67 20 61 20 6e 6f |hose hav|ing a no|
|00004000| 6e 2d 7a 65 72 6f 20 76 | 61 6c 75 65 2e 0d 49 66 |n-zero v|alue..If|
|00004010| 20 79 6f 75 20 63 68 65 | 63 6b 20 74 68 65 20 22 | you che|ck the "|
|00004020| 4b 65 65 70 20 65 71 75 | 61 6c 20 76 61 6c 75 65 |Keep equ|al value|
|00004030| 73 20 65 71 75 61 6c 22 | 20 62 6f 78 2c 20 70 61 |s equal"| box, pa|
|00004040| 72 61 6d 65 74 65 72 73 | 20 68 61 76 69 6e 67 20 |rameters| having |
|00004050| 74 68 65 20 73 61 6d 65 | 20 76 61 6c 75 65 73 20 |the same| values |
|00004060| 77 69 6c 6c 20 62 65 20 | 67 69 76 65 6e 20 69 64 |will be |given id|
|00004070| 65 6e 74 69 63 61 6c 20 | 6e 61 6d 65 73 2e 0d 00 |entical |names...|
|00004080| 00 02 00 08 00 00 00 00 | 00 00 00 00 00 00 01 35 |........|.......5|
|00004090| 00 ca 00 00 00 4d 00 7d | 00 00 00 0c 00 71 00 00 |.....M.}|.....q..|
|000040a0| 00 08 00 69 00 00 00 0c | 00 5d 00 00 00 08 00 55 |...i....|.].....U|
|000040b0| 00 00 00 0c 00 49 00 00 | 00 08 00 41 61 73 73 65 |.....I..|...Aasse|
|000040c0| 64 00 01 70 63 54 41 27 | 30 27 40 00 00 00 0a 00 |d..pcTA'|0'@.....|
|000040d0| b8 01 49 ff fe 00 01 70 | 63 54 41 27 2f 27 3f 00 |..I....p|cTA'/'?.|
|000040e0| 00 00 0a 00 48 01 49 ff | fe 00 01 70 63 54 41 27 |....H.I.|...pcTA'|
|000040f0| 2e 27 3e 00 00 00 0a 00 | d4 01 49 ff fe 20 67 72 |.'>.....|..I.. gr|
|00004100| 6f 77 20 6c 61 72 67 65 | 72 20 74 68 61 6e 20 74 |ow large|r than t|
|00004110| 68 65 20 77 69 6e 64 6f | 77 2c 20 79 6f 75 20 63 |he windo|w, you c|
|00004120| 61 6e 20 75 73 65 20 74 | 68 65 20 73 63 72 6f 6c |an use t|he scrol|
|00004130| 6c 20 62 61 72 20 74 6f | 20 6d 6f 76 65 20 74 68 |l bar to| move th|
|00004140| 72 6f 75 67 68 20 69 74 | 2e 0d 54 6f 20 73 65 74 |rough it|..To set|
|00004150| 20 75 70 20 61 20 63 68 | 65 6d 69 63 61 6c 2d 65 | up a ch|emical-e|
|00004160| 78 63 68 61 6e 67 65 20 | 63 61 6c 63 75 6c 61 74 |xchange |calculat|
|00004170| 69 6f 6e 2c 20 66 69 72 | 73 74 20 73 65 74 20 75 |ion, fir|st set u|
|00004180| 70 20 74 68 65 20 6e 6f | 72 6d 61 6c 20 73 69 6d |p the no|rmal sim|
|00004190| 75 6c 61 74 69 6f 6e 20 | 66 6f 72 20 74 68 65 20 |ulation |for the |
|000041a0| 73 74 61 74 69 63 20 73 | 79 73 74 65 6d 2e 0d 54 |static s|ystem..T|
|000041b0| 68 65 6e 20 63 68 6f 6f | 73 65 20 4d 6f 6c 65 63 |hen choo|se Molec|
|000041c0| 75 6c 65 2f 45 78 63 68 | 61 6e 67 65 20 74 6f 20 |ule/Exch|ange to |
|000041d0| 65 6e 74 65 72 20 74 68 | 65 20 70 65 72 6d 75 74 |enter th|e permut|
|000041e0| 61 74 69 6f 6e 28 73 29 | 20 63 6f 72 72 65 73 70 |ation(s)| corresp|
|000041f0| 6f 6e 64 69 6e 67 20 74 | 6f 20 74 68 65 20 72 65 |onding t|o the re|
|00004200| 61 63 74 69 6f 6e 28 73 | 29 20 79 6f 75 20 61 72 |action(s|) you ar|
|00004210| 65 20 69 6e 74 65 72 65 | 73 74 65 64 20 69 6e 20 |e intere|sted in |
|00004220| 69 6e 20 74 68 65 20 45 | 78 63 68 61 6e 67 65 20 |in the E|xchange |
|00004230| 77 69 6e 64 6f 77 2e 0d | 0d 4e 6f 74 65 3a 20 65 |window..|.Note: e|
|00004240| 78 63 68 61 6e 67 65 20 | 63 61 6c 63 75 6c 61 74 |xchange |calculat|
|00004250| 69 6f 6e 73 20 74 61 6b | 65 20 6d 75 63 68 20 6c |ions tak|e much l|
|00004260| 6f 6e 67 65 72 20 74 68 | 61 6e 20 6e 6f 72 6d 61 |onger th|an norma|
|00004270| 6c 20 73 69 6d 75 6c 61 | 74 69 6f 6e 73 21 0d 00 |l simula|tions!..|
|00004280| 00 02 00 02 00 00 00 00 | 00 00 00 00 00 00 00 fa |........|........|
|00004290| 01 05 00 00 00 e7 00 1e | 00 00 00 0c 01 79 41 20 |........|.....yA |
|000042a0| 64 65 73 74 69 6e 61 74 | 69 6f 6e 20 69 73 20 6f |destinat|ion is o|
|000042b0| 66 20 74 68 65 20 66 6f | 72 6d 20 22 6d 2d 6e 22 |f the fo|rm "m-n"|
|000042c0| 2c 20 77 68 65 72 65 20 | 6d 20 69 73 20 61 20 6d |, where |m is a m|
|000042d0| 6f 6c 65 63 75 6c 65 20 | 6e 75 6d 62 65 72 20 61 |olecule |number a|
|000042e0| 6e 64 20 6e 20 69 73 20 | 61 20 6e 75 63 6c 65 75 |nd n is |a nucleu|
|000042f0| 73 20 6e 75 6d 62 65 72 | 2e 0d 49 66 20 74 68 65 |s number|..If the|
|00004300| 20 61 74 6f 6d 20 72 65 | 6d 61 69 6e 73 20 77 69 | atom re|mains wi|
|00004310| 74 68 69 6e 20 69 74 73 | 20 6f 77 6e 20 6d 6f 6c |thin its| own mol|
|00004320| 65 63 75 6c 65 2c 20 79 | 6f 75 20 63 61 6e 20 6f |ecule, y|ou can o|
|00004330| 6d 69 74 20 74 68 65 20 | 6d 6f 6c 65 63 75 6c 65 |mit the |molecule|
|00004340| 20 6e 75 6d 62 65 72 20 | 61 6e 64 20 74 68 65 20 | number |and the |
|00004350| 68 79 70 68 65 6e 2e 0d | 59 6f 75 20 63 61 6e 20 |hyphen..|You can |
|00004360| 74 79 70 65 20 61 20 3d | 20 66 6f 72 20 6e 75 63 |type a =| for nuc|
|00004370| 6c 65 69 20 74 68 61 74 | 20 64 6f 6e 27 74 20 6d |lei that| don't m|
|00004380| 6f 76 65 2e 0d 45 61 63 | 68 20 70 65 72 6d 75 74 |ove..Eac|h permut|
|00004390| 61 74 69 6f 6e 20 6f 63 | 63 75 70 69 65 73 20 61 |ation oc|cupies a|
|000043a0| 20 63 6f 6c 75 6d 6e 2e | 0d 54 68 65 20 74 6f 70 | column.|.The top|
|000043b0| 20 65 6e 74 72 79 20 63 | 6f 6e 74 61 69 6e 73 20 | entry c|ontains |
|000043c0| 74 68 65 20 72 61 74 65 | 20 28 69 6e 20 48 7a 29 |the rate| (in Hz)|
|000043d0| 2e 0d 42 65 6c 6f 77 20 | 69 74 20 69 73 20 61 20 |..Below |it is a |
|000043e0| 66 69 65 6c 64 20 77 68 | 69 63 68 20 72 65 61 64 |field wh|ich read|
|000043f0| 73 20 22 28 69 6e 63 29 | 22 20 75 6e 74 69 6c 20 |s "(inc)|" until |
|00004400| 74 68 65 20 70 65 72 6d | 75 74 61 74 69 6f 6e 20 |the perm|utation |
|00004410| 68 61 73 20 62 65 65 6e | 20 65 6e 74 65 72 65 64 |has been| entered|
|00004420| 20 63 6f 6d 70 6c 65 74 | 65 6c 79 20 61 6e 64 20 | complet|ely and |
|00004430| 63 6f 72 72 65 63 74 6c | 79 2e 0d 42 65 6c 6f 77 |correctl|y..Below|
|00004440| 20 74 68 61 74 20 63 6f | 6d 65 20 74 68 65 20 64 | that co|me the d|
|00004450| 65 73 74 69 6e 61 74 69 | 6f 6e 73 20 66 6f 72 20 |estinati|ons for |
|00004460| 65 61 63 68 20 6e 75 63 | 6c 65 75 73 20 69 6e 20 |each nuc|leus in |
|00004470| 65 61 63 68 20 6d 6f 6c | 65 63 75 6c 65 2e 0d 00 |each mol|ecule...|
|00004480| 00 02 00 07 00 00 00 00 | 00 00 00 00 00 00 01 30 |........|.......0|
|00004490| 00 cf 00 00 00 66 00 69 | 00 00 00 0c 00 5d 00 00 |.....f.i|.....]..|
|000044a0| 00 08 00 55 00 00 00 0c | 00 49 00 00 00 08 00 41 |...U....|.I.....A|
|000044b0| 00 00 00 08 00 39 68 61 | 76 00 01 70 63 54 41 27 |.....9ha|v..pcTA'|
|000044c0| 33 00 01 70 63 54 41 27 | 32 27 42 00 00 00 0a 01 |3..pcTA'|2'B.....|
|000044d0| 1a 01 49 ff fe 00 01 70 | 63 54 41 27 31 27 41 00 |..I....p|cTA'1'A.|
|000044e0| 00 00 0a 00 9c 01 49 ff | fe 6f 6e 2e 20 0d 49 66 |......I.|.on. .If|
|000044f0| 20 79 6f 75 20 70 6c 61 | 6e 20 74 6f 20 6f 70 65 | you pla|n to ope|
|00004500| 6e 20 73 65 76 65 72 61 | 6c 20 6f 6c 64 65 72 20 |n severa|l older |
|00004510| 64 61 74 61 20 66 69 6c | 65 73 2c 20 63 68 65 63 |data fil|es, chec|
|00004520| 6b 20 74 68 65 20 22 4b | 65 65 70 20 67 43 56 54 |k the "K|eep gCVT|
|00004530| 20 61 63 74 69 76 65 20 | 61 66 74 65 72 20 63 6f | active |after co|
|00004540| 6e 76 65 72 73 69 6f 6e | 22 20 62 6f 78 2e 0d 4f |nversion|" box..O|
|00004550| 6e 63 65 20 61 20 63 6f | 6d 70 6c 65 74 65 20 70 |nce a co|mplete p|
|00004560| 65 72 6d 75 74 61 74 69 | 6f 6e 20 68 61 73 20 62 |ermutati|on has b|
|00004570| 65 65 6e 20 65 6e 74 65 | 72 65 64 2c 20 74 68 65 |een ente|red, the|
|00004580| 20 66 69 65 6c 64 20 62 | 65 6c 6f 77 20 74 68 65 | field b|elow the|
|00004590| 20 72 61 74 65 20 77 69 | 6c 6c 20 63 68 61 6e 67 | rate wi|ll chang|
|000045a0| 65 20 74 6f 20 22 46 69 | 78 65 64 22 2e 0d 54 68 |e to "Fi|xed"..Th|
|000045b0| 69 73 20 6d 65 61 6e 73 | 20 74 68 61 74 20 74 68 |is means| that th|
|000045c0| 65 20 72 61 74 65 20 77 | 69 6c 6c 20 6e 6f 74 20 |e rate w|ill not |
|000045d0| 62 65 20 6f 70 74 69 6d | 69 7a 65 64 20 69 6e 20 |be optim|ized in |
|000045e0| 69 74 65 72 61 74 69 6f | 6e 2e 0d 54 6f 20 6d 61 |iteratio|n..To ma|
|000045f0| 72 6b 20 61 20 72 61 74 | 65 20 66 6f 72 20 69 74 |rk a rat|e for it|
|00004600| 65 72 61 74 69 6f 6e 2c | 20 63 68 61 6e 67 65 20 |eration,| change |
|00004610| 74 68 69 73 20 66 69 65 | 6c 64 20 74 6f 20 22 56 |this fie|ld to "V|
|00004620| 61 72 69 61 62 6c 65 22 | 20 28 69 74 20 62 65 68 |ariable"| (it beh|
|00004630| 61 76 65 73 20 6c 69 6b | 65 20 61 20 70 6f 70 75 |aves lik|e a popu|
|00004640| 70 29 2e 0d 0d 54 6f 20 | 72 65 6d 6f 76 65 20 61 |p)...To |remove a|
|00004650| 6c 6c 20 70 65 72 6d 75 | 74 61 74 69 6f 6e 73 2c |ll permu|tations,|
|00004660| 20 63 6c 69 63 6b 20 74 | 68 65 20 22 43 6c 65 61 | click t|he "Clea|
|00004670| 72 20 41 6c 6c 22 20 62 | 75 74 74 6f 6e 2e 0d 00 |r All" b|utton...|
|00004680| 00 02 00 03 00 00 00 00 | 00 00 00 00 00 00 01 91 |........|........|
|00004690| 00 6e 00 00 00 0c 00 62 | 00 00 00 35 00 2d 00 00 |.n.....b|...5.-..|
|000046a0| 00 08 01 71 00 00 00 74 | 00 fd 00 00 00 64 20 73 |...q...t|.....d s|
|000046b0| 70 65 63 74 72 75 6d 20 | 69 6e 20 67 53 50 47 20 |pectrum |in gSPG |
|000046c0| 66 6f 72 6d 61 74 20 28 | 46 69 6c 65 2f 53 61 76 |format (|File/Sav|
|000046d0| 65 20 54 72 61 63 65 20 | 63 6f 6d 6d 61 6e 64 29 |e Trace |command)|
|000046e0| 2e 0d 27 43 00 00 00 0a | 01 8a 01 49 ff fe 54 68 |..'C....|...I..Th|
|000046f0| 65 72 65 20 61 72 65 20 | 74 77 6f 20 6d 65 74 68 |ere are |two meth|
|00004700| 6f 64 73 20 66 6f 72 20 | 6c 6f 6f 6b 69 6e 67 20 |ods for |looking |
|00004710| 61 74 20 61 20 70 61 72 | 74 20 6f 66 20 61 20 73 |at a par|t of a s|
|00004720| 70 65 63 74 72 75 6d 20 | 69 6e 20 6d 6f 72 65 20 |pectrum |in more |
|00004730| 64 65 74 61 69 6c 3a 0d | 20 a5 20 59 6f 75 20 63 |detail:.| . You c|
|00004740| 61 6e 20 65 78 70 61 6e | 64 20 74 68 65 20 73 70 |an expan|d the sp|
|00004750| 65 63 74 72 75 6d 20 62 | 79 20 69 6e 63 72 65 61 |ectrum b|y increa|
|00004760| 73 69 6e 67 20 69 74 73 | 20 68 6f 72 69 7a 6f 6e |sing its| horizon|
|00004770| 74 61 6c 20 73 69 7a 65 | 2c 20 75 73 69 6e 67 20 |tal size|, using |
|00004780| 74 68 65 20 50 6c 6f 74 | 2f 4f 70 74 69 6f 6e 73 |the Plot|/Options|
|00004790| 20 64 69 61 6c 6f 67 20 | 53 63 61 6c 65 20 69 74 | dialog |Scale it|
|000047a0| 65 6d 2c 20 74 68 65 20 | 6d 65 6e 75 20 63 68 6f |em, the |menu cho|
|000047b0| 69 63 65 20 50 6c 6f 74 | 2f 48 6f 72 7a 20 2a 32 |ice Plot|/Horz *2|
|000047c0| 20 6f 72 20 69 74 73 20 | 62 75 74 74 6f 6e 20 62 | or its |button b|
|000047d0| 61 72 20 65 71 75 69 76 | 61 6c 65 6e 74 2e 0d 20 |ar equiv|alent.. |
|000047e0| a5 20 59 6f 75 20 63 61 | 6e 20 73 65 6c 65 63 74 |. You ca|n select|
|000047f0| 20 61 20 73 75 62 73 70 | 65 63 74 72 75 6d 20 75 | a subsp|ectrum u|
|00004800| 73 69 6e 67 20 74 68 65 | 20 50 6c 6f 74 2f 4f 70 |sing the| Plot/Op|
|00004810| 74 69 6f 6e 73 20 46 72 | 6f 6d 20 61 6e 64 20 54 |tions Fr|om and T|
|00004820| 6f 20 69 74 65 6d 73 2c | 20 6f 72 20 74 68 65 20 |o items,| or the |
|00004830| 64 72 61 67 20 62 61 72 | 20 69 6d 6d 65 64 69 61 |drag bar| immedia|
|00004840| 74 65 6c 79 20 61 62 6f | 76 65 20 74 68 65 20 73 |tely abo|ve the s|
|00004850| 70 65 63 74 72 75 6d 2e | 0d 54 68 65 73 65 20 74 |pectrum.|.These t|
|00004860| 77 6f 20 6d 65 74 68 6f | 64 73 20 61 72 65 20 6e |wo metho|ds are n|
|00004870| 6f 74 20 65 71 75 69 76 | 61 6c 65 6e 74 2e 0d 00 |ot equiv|alent...|
|00004880| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 02 35 |........|.......5|
|00004890| 00 18 00 00 00 20 00 01 | 54 6f 20 61 70 70 72 65 |..... ..|To appre|
|000048a0| 63 69 61 74 65 20 74 68 | 65 20 64 69 66 66 65 72 |ciate th|e differ|
|000048b0| 65 6e 63 65 2c 20 79 6f | 75 20 73 68 6f 75 6c 64 |ence, yo|u should|
|000048c0| 20 6b 6e 6f 77 20 74 68 | 61 74 20 67 4e 4d 52 20 | know th|at gNMR |
|000048d0| 63 61 6c 63 75 6c 61 74 | 65 73 20 65 61 63 68 20 |calculat|es each |
|000048e0| 73 70 65 63 74 72 75 6d | 20 28 69 2e 65 2e 20 74 |spectrum| (i.e. t|
|000048f0| 68 65 20 72 65 67 69 6f | 6e 20 62 65 74 77 65 65 |he regio|n betwee|
|00004900| 6e 20 74 68 65 20 46 72 | 6f 6d 20 61 6e 64 20 54 |n the Fr|om and T|
|00004910| 6f 20 6c 69 6d 69 74 73 | 29 20 75 73 69 6e 67 20 |o limits|) using |
|00004920| 61 70 70 72 6f 78 69 6d | 61 74 65 6c 79 20 32 30 |approxim|ately 20|
|00004930| 30 30 20 64 61 74 61 70 | 6f 69 6e 74 73 2e 0d 0d |00 datap|oints...|
|00004940| 49 66 20 79 6f 75 20 73 | 69 6d 70 6c 79 20 65 78 |If you s|imply ex|
|00004950| 70 61 6e 64 20 61 20 73 | 70 65 63 74 72 75 6d 2c |pand a s|pectrum,|
|00004960| 20 74 68 65 73 65 20 73 | 61 6d 65 20 70 6f 69 6e | these s|ame poin|
|00004970| 74 73 20 77 69 6c 6c 20 | 62 65 20 75 73 65 64 20 |ts will |be used |
|00004980| 74 6f 20 64 69 73 70 6c | 61 79 20 61 20 6c 61 72 |to displ|ay a lar|
|00004990| 67 65 72 20 73 70 65 63 | 74 72 75 6d 2e 0d 46 6f |ger spec|trum..Fo|
|000049a0| 72 20 65 78 74 72 65 6d | 65 20 65 78 70 61 6e 73 |r extrem|e expans|
|000049b0| 69 6f 6e 73 2c 20 74 68 | 65 20 73 70 65 63 74 72 |ions, th|e spectr|
|000049c0| 75 6d 20 77 69 6c 6c 20 | 61 70 70 65 61 72 20 6a |um will |appear j|
|000049d0| 61 67 67 65 64 2c 20 62 | 65 63 61 75 73 65 20 79 |agged, b|ecause y|
|000049e0| 6f 75 20 63 61 6e 20 73 | 65 65 20 74 68 65 20 73 |ou can s|ee the s|
|000049f0| 65 67 6d 65 6e 74 73 20 | 63 6f 6e 6e 65 63 74 69 |egments |connecti|
|00004a00| 6e 67 20 69 6e 64 69 76 | 69 64 75 61 6c 20 64 61 |ng indiv|idual da|
|00004a10| 74 61 70 6f 69 6e 74 73 | 2e 0d 45 78 70 61 6e 73 |tapoints|..Expans|
|00004a20| 69 6f 6e 20 69 73 20 72 | 61 70 69 64 20 62 65 63 |ion is r|apid bec|
|00004a30| 61 75 73 65 20 74 68 65 | 72 65 20 69 73 20 6e 6f |ause the|re is no|
|00004a40| 20 72 65 63 61 6c 63 75 | 6c 61 74 69 6f 6e 20 69 | recalcu|lation i|
|00004a50| 6e 76 6f 6c 76 65 64 2e | 0d 49 66 20 74 68 65 20 |nvolved.|.If the |
|00004a60| 65 78 70 61 6e 73 69 6f | 6e 20 63 61 75 73 65 73 |expansio|n causes|
|00004a70| 20 74 68 65 20 73 70 65 | 63 74 72 75 6d 20 74 6f | the spe|ctrum to|
|00004a80| 00 02 00 02 00 00 00 00 | 00 00 00 00 00 00 00 ee |........|........|
|00004a90| 01 11 00 00 00 f6 00 1b | 00 00 00 20 43 68 75 6e |........|... Chun|
|00004aa0| 6b 69 6e 67 20 74 68 72 | 65 73 68 6f 6c 64 20 69 |king thr|eshold i|
|00004ab0| 73 20 74 68 65 20 4a 2f | 20 20 63 72 69 74 65 72 |s the J/|  criter|
|00004ac0| 69 6f 6e 20 61 62 6f 76 | 65 20 77 68 69 63 68 20 |ion abov|e which |
|00004ad0| 67 4e 4d 52 20 77 69 6c | 6c 20 74 72 79 20 74 6f |gNMR wil|l try to|
|00004ae0| 20 69 6e 63 6c 75 64 65 | 20 73 74 72 6f 6e 67 6c | include| strongl|
|00004af0| 79 20 63 6f 75 70 6c 65 | 64 20 73 70 69 6e 73 20 |y couple|d spins |
|00004b00| 69 6e 20 74 68 65 20 63 | 68 75 6e 6b 73 2e 0d 20 |in the c|hunks.. |
|00004b10| a5 20 41 62 75 6e 64 61 | 6e 63 65 20 74 68 72 65 |. Abunda|nce thre|
|00004b20| 73 68 6f 6c 64 20 69 73 | 20 74 68 65 20 74 68 72 |shold is| the thr|
|00004b30| 65 73 68 6f 6c 64 20 62 | 65 6c 6f 77 20 77 68 69 |eshold b|elow whi|
|00004b40| 63 68 20 67 4e 4d 52 20 | 77 69 6c 6c 20 69 67 6e |ch gNMR |will ign|
|00004b50| 6f 72 65 20 63 6f 6e 74 | 72 69 62 75 74 69 6f 6e |ore cont|ribution|
|00004b60| 73 20 6f 66 20 69 73 6f | 74 6f 70 6f 6d 65 72 73 |s of iso|topomers|
|00004b70| 20 66 72 6f 6d 20 69 73 | 6f 74 6f 70 65 2d 6d 69 | from is|otope-mi|
|00004b80| 78 74 75 72 65 20 6d 6f | 6c 65 63 75 6c 65 73 2e |xture mo|lecules.|
|00004b90| 0d 49 66 20 79 6f 75 20 | 73 65 6c 65 63 74 20 61 |.If you |select a|
|00004ba0| 20 73 75 62 73 70 65 63 | 74 72 75 6d 2c 20 74 68 | subspec|trum, th|
|00004bb0| 69 73 20 74 68 69 73 20 | 73 6d 61 6c 6c 65 72 20 |is this |smaller |
|00004bc0| 72 61 6e 67 65 20 77 69 | 6c 6c 20 62 65 20 72 65 |range wi|ll be re|
|00004bd0| 63 61 6c 63 75 6c 61 74 | 65 64 20 75 73 69 6e 67 |calculat|ed using|
|00004be0| 20 32 30 30 30 20 64 61 | 74 61 70 6f 69 6e 74 73 | 2000 da|tapoints|
|00004bf0| 3a 20 65 76 65 6e 20 73 | 75 62 73 70 65 63 74 72 |: even s|ubspectr|
|00004c00| 61 20 63 6f 76 65 72 69 | 6e 67 20 76 65 72 79 20 |a coveri|ng very |
|00004c10| 6e 61 72 72 6f 77 20 72 | 61 6e 67 65 73 20 77 69 |narrow r|anges wi|
|00004c20| 6c 6c 20 61 70 70 65 61 | 72 20 73 6d 6f 6f 74 68 |ll appea|r smooth|
|00004c30| 2e 0d 53 69 6e 63 65 20 | 73 75 62 73 70 65 63 74 |..Since |subspect|
|00004c40| 72 61 20 68 61 76 65 20 | 74 6f 20 62 65 20 72 65 |ra have |to be re|
|00004c50| 63 61 6c 63 75 6c 61 74 | 65 64 2c 20 73 75 62 73 |calculat|ed, subs|
|00004c60| 70 65 63 74 72 75 6d 20 | 73 65 6c 65 63 74 69 6f |pectrum |selectio|
|00004c70| 6e 20 63 61 6e 20 62 65 | 20 73 6c 6f 77 2e 0d 00 |n can be| slow...|
|00004c80| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 02 4e |........|.......N|
|00004c90| 00 18 00 00 00 22 00 01 | 49 66 20 79 6f 75 20 74 |....."..|If you t|
|00004ca0| 72 79 20 74 6f 20 6f 70 | 65 6e 20 61 20 64 61 74 |ry to op|en a dat|
|00004cb0| 61 20 28 66 69 6c 65 74 | 79 70 65 20 27 4e 4d 52 |a (filet|ype 'NMR|
|00004cc0| 24 27 2c 20 63 72 65 61 | 74 6f 72 20 27 67 4e 4d |$', crea|tor 'gNM|
|00004cd0| 52 27 29 20 6f 72 20 73 | 70 65 63 74 72 75 6d 20 |R') or s|pectrum |
|00004ce0| 28 66 69 6c 65 74 79 70 | 65 20 27 53 50 47 24 27 |(filetyp|e 'SPG$'|
|00004cf0| 2c 20 63 72 65 61 74 6f | 72 20 27 67 53 50 47 27 |, creato|r 'gSPG'|
|00004d00| 29 20 66 69 6c 65 20 63 | 72 65 61 74 65 64 20 62 |) file c|reated b|
|00004d10| 79 20 61 6e 20 6f 6c 64 | 65 72 20 76 65 72 73 69 |y an old|er versi|
|00004d20| 6f 6e 20 6f 66 20 67 4e | 4d 52 2c 20 79 6f 75 20 |on of gN|MR, you |
|00004d30| 77 69 6c 6c 20 62 65 20 | 61 73 6b 65 64 20 77 68 |will be |asked wh|
|00004d40| 65 74 68 65 72 20 79 6f | 75 20 77 61 6e 74 20 74 |ether yo|u want t|
|00004d50| 6f 20 63 6f 6e 76 65 72 | 74 20 69 74 20 74 6f 20 |o conver|t it to |
|00004d60| 74 68 65 20 63 75 72 72 | 65 6e 74 20 76 65 72 73 |the curr|ent vers|
|00004d70| 69 6f 6e 2e 0d 43 6c 69 | 63 6b 20 6f 6e 20 22 43 |ion..Cli|ck on "C|
|00004d80| 6f 6e 76 65 72 74 22 20 | 74 6f 20 63 6f 6e 76 65 |onvert" |to conve|
|00004d90| 72 74 20 74 68 65 20 66 | 69 6c 65 20 69 6e 20 70 |rt the f|ile in p|
|00004da0| 6c 61 63 65 2c 20 6f 76 | 65 72 77 72 69 74 69 6e |lace, ov|erwritin|
|00004db0| 67 20 74 68 65 20 6f 72 | 69 67 69 6e 61 6c 2c 20 |g the or|iginal, |
|00004dc0| 6f 72 20 6f 6e 20 22 43 | 6f 6e 76 65 72 74 20 61 |or on "C|onvert a|
|00004dd0| 20 63 6f 70 79 22 20 69 | 66 20 79 6f 75 20 77 61 | copy" i|f you wa|
|00004de0| 6e 74 20 74 6f 20 73 61 | 76 65 20 74 68 65 20 63 |nt to sa|ve the c|
|00004df0| 6f 6e 76 65 72 74 65 64 | 20 66 69 6c 65 20 75 6e |onverted| file un|
|00004e00| 64 65 72 20 61 20 6e 65 | 77 20 6e 61 6d 65 2e 0d |der a ne|w name..|
|00004e10| 0d 67 4e 4d 52 20 77 69 | 6c 6c 20 69 6e 76 6f 6b |.gNMR wi|ll invok|
|00004e20| 65 20 74 68 65 20 75 74 | 69 6c 69 74 79 20 70 72 |e the ut|ility pr|
|00004e30| 6f 67 72 61 6d 20 67 43 | 56 54 20 74 6f 20 64 6f |ogram gC|VT to do|
|00004e40| 20 74 68 65 20 63 6f 6e | 76 65 72 73 69 6f 6e 2e | the con|version.|
|00004e50| 0d 4e 6f 72 6d 61 6c 6c | 79 2c 20 69 74 20 77 69 |.Normall|y, it wi|
|00004e60| 6c 6c 20 73 68 75 74 20 | 64 6f 77 6e 20 67 43 56 |ll shut |down gCV|
|00004e70| 54 20 61 66 74 65 72 20 | 63 6f 6e 76 65 72 73 69 |T after |conversi|
|00004e80| 00 02 00 06 00 00 00 00 | 00 00 00 00 00 00 01 94 |........|........|
|00004e90| 00 6b 00 00 00 0c 00 5f | 00 00 00 08 00 57 00 00 |.k....._|.....W..|
|00004ea0| 00 0c 00 4b 00 00 00 08 | 00 43 00 00 00 0c 00 37 |...K....|.C.....7|
|00004eb0| 6e 20 79 6f 75 20 68 27 | 46 00 00 00 0a 00 c6 01 |n you h'|F.......|
|00004ec0| 49 ff fe 00 01 70 63 54 | 41 27 35 27 45 00 00 00 |I....pcT|A'5'E...|
|00004ed0| 0a 00 48 01 49 ff fe 00 | 01 70 63 54 41 27 34 27 |..H.I...|.pcTA'4'|
|00004ee0| 44 00 00 00 0a 00 c6 01 | 49 ff fe 54 68 65 20 46 |D.......|I..The F|
|00004ef0| 69 6c 65 2f 4f 70 74 69 | 6f 6e 73 20 64 69 61 6c |ile/Opti|ons dial|
|00004f00| 6f 67 20 69 73 20 75 73 | 65 64 20 74 6f 20 73 65 |og is us|ed to se|
|00004f10| 74 20 6f 72 20 63 68 61 | 6e 67 65 20 67 6c 6f 62 |t or cha|nge glob|
|00004f20| 61 6c 20 64 61 74 61 20 | 66 6f 72 20 79 6f 75 72 |al data |for your|
|00004f30| 20 66 69 6c 65 2e 0d 54 | 68 69 73 20 64 69 61 6c | file..T|his dial|
|00004f40| 6f 67 20 62 6f 78 20 63 | 6f 6e 74 61 69 6e 73 20 |og box c|ontains |
|00004f50| 68 61 73 20 74 77 6f 20 | 74 6f 70 69 63 73 3a 0d |has two |topics:.|
|00004f60| 20 a5 20 47 65 6e 65 72 | 61 6c 20 28 69 74 65 6d | . Gener|al (item|
|00004f70| 73 20 64 65 73 63 72 69 | 62 69 6e 67 20 74 68 65 |s descri|bing the|
|00004f80| 20 22 73 70 65 63 74 72 | 6f 6d 65 74 65 72 22 20 | "spectr|ometer" |
|00004f90| 70 61 72 74 20 6f 66 20 | 79 6f 75 72 20 64 61 74 |part of |your dat|
|00004fa0| 61 29 0d 20 a5 20 53 79 | 6d 6d 65 74 72 79 20 28 |a). . Sy|mmetry (|
|00004fb0| 63 6f 6e 74 72 6f 6c 73 | 20 68 6f 77 20 67 4e 4d |controls| how gNM|
|00004fc0| 52 20 75 73 65 73 20 73 | 79 6d 6d 65 74 72 79 20 |R uses s|ymmetry |
|00004fd0| 61 6e 64 20 61 70 70 72 | 6f 78 69 6d 61 74 65 20 |and appr|oximate |
|00004fe0| 6d 65 74 68 6f 64 73 20 | 74 6f 20 68 61 6e 64 6c |methods |to handl|
|00004ff0| 65 20 74 68 65 20 63 61 | 6c 63 75 6c 61 74 69 6f |e the ca|lculatio|
|00005000| 6e 20 6f 66 20 73 70 65 | 63 74 72 61 29 0d 43 6c |n of spe|ctra).Cl|
|00005010| 69 63 6b 20 6f 6e 20 74 | 68 65 20 69 63 6f 6e 20 |ick on t|he icon |
|00005020| 6f 66 20 65 69 74 68 65 | 72 20 74 6f 70 69 63 20 |of eithe|r topic |
|00005030| 74 6f 20 73 65 6c 65 63 | 74 20 69 74 2c 20 61 6e |to selec|t it, an|
|00005040| 64 20 74 68 65 6e 20 65 | 6e 74 65 72 20 76 61 6c |d then e|nter val|
|00005050| 75 65 73 20 66 6f 72 20 | 74 68 65 20 70 61 72 61 |ues for |the para|
|00005060| 6d 65 74 65 72 73 2e 0d | 43 6c 69 63 6b 20 6f 6e |meters..|Click on|
|00005070| 20 4f 4b 20 77 68 65 6e | 20 64 6f 6e 65 2e 0d 00 | OK when| done...|
|00005080| 00 00 00 00 00 56 00 00 | 00 1a 00 00 00 37 00 0a |.....V..|.....7..|
|00005090| 00 00 00 00 00 27 00 00 | 0d 52 73 52 63 54 45 58 |.....'..|.RsRcTEX|
|000050a0| 54 31 30 30 35 30 00 00 | 03 4f 01 bc 54 30 00 0f |T10050..|.O..T0..|
|000050b0| 7e 40 31 30 30 35 30 05 | a0 44 40 83 98 98 00 00 |~@10050.|.D@.....|
|000050c0| 00 00 00 00 00 2a 00 00 | 0d 52 73 52 63 54 45 58 |.....*..|.RsRcTEX|
|000050d0| 54 31 30 30 35 31 00 00 | 04 c6 01 bc 54 30 00 0f |T10051..|....T0..|
|000050e0| 7e 40 31 30 30 35 31 05 | a0 44 40 83 98 98 00 00 |~@10051.|.D@.....|
|000050f0| 00 00 00 00 00 2d 00 00 | 0d 52 73 52 63 54 45 58 |.....-..|.RsRcTEX|
|00005100| 54 31 30 30 35 32 00 00 | 02 1d 01 bc 54 30 00 0f |T10052..|....T0..|
|00005110| 7e 40 31 30 30 35 32 05 | a0 44 40 83 98 98 00 00 |~@10052.|.D@.....|
|00005120| 00 00 00 00 00 2f 00 00 | 0d 52 73 52 63 54 45 58 |...../..|.RsRcTEX|
|00005130| 54 31 30 30 35 33 00 00 | 00 05 01 bc 54 30 98 98 |T10053..|....T0..|
|00005140| 00 00 31 30 30 35 33 05 | a0 44 40 83 98 98 00 00 |..10053.|.D@.....|
|00005150| 00 00 00 00 00 30 00 00 | 0d 52 73 52 63 54 45 58 |.....0..|.RsRcTEX|
|00005160| 54 31 30 30 35 34 00 00 | 02 54 01 bc 54 30 00 0f |T10054..|.T..T0..|
|00005170| 7e 40 31 30 30 35 34 05 | a0 44 40 83 98 98 00 00 |~@10054.|.D@.....|
|00005180| 00 00 00 00 00 31 00 00 | 0d 52 73 52 63 54 45 58 |.....1..|.RsRcTEX|
|00005190| 54 31 30 30 35 35 00 00 | 02 0a 01 bc 54 30 00 0f |T10055..|....T0..|
|000051a0| 7e 40 31 30 30 35 35 05 | a0 44 40 83 98 98 00 00 |~@10055.|.D@.....|
|000051b0| 00 00 00 00 00 32 00 00 | 0d 52 73 52 63 54 45 58 |.....2..|.RsRcTEX|
|000051c0| 54 31 30 30 35 36 00 00 | 00 05 01 bc 54 30 98 98 |T10056..|....T0..|
|000051d0| 00 00 31 30 30 35 36 05 | a0 44 40 83 98 98 00 00 |..10056.|.D@.....|
|000051e0| 00 00 00 00 00 33 00 00 | 0d 52 73 52 63 54 45 58 |.....3..|.RsRcTEX|
|000051f0| 54 31 30 30 35 37 00 00 | 00 05 01 bc 54 30 98 98 |T10057..|....T0..|
|00005200| 00 00 31 30 30 35 37 05 | a0 44 40 83 98 98 00 00 |..10057.|.D@.....|
|00005210| 00 06 00 00 00 30 00 00 | 0d 52 73 52 63 54 45 58 |.....0..|.RsRcTEX|
|00005220| 54 31 30 30 35 38 00 00 | 01 fa 01 bc 54 30 00 0f |T10058..|....T0..|
|00005230| 7e 40 31 30 30 35 38 05 | a0 44 40 83 98 98 00 00 |~@10058.|.D@.....|
|00005240| 00 00 00 00 00 34 00 00 | 0d 52 73 52 63 54 45 58 |.....4..|.RsRcTEX|
|00005250| 54 31 30 30 35 39 00 00 | 00 05 01 bc 54 30 98 98 |T10059..|....T0..|
|00005260| 00 00 31 30 30 35 39 05 | a0 44 40 83 98 98 00 00 |..10059.|.D@.....|
|00005270| 00 01 00 00 00 35 00 00 | 00 00 00 00 00 00 00 00 |.....5..|........|
|00005280| 00 00 00 00 00 1d 00 00 | 00 1b 00 00 00 38 00 0a |........|.....8..|
|00005290| 00 00 00 00 00 35 00 00 | 0d 52 73 52 63 70 70 55 |.....5..|.RsRcppU|
|000052a0| 41 31 30 30 33 36 00 00 | 00 05 01 bc 54 30 98 98 |A10036..|....T0..|
|000052b0| 00 00 31 30 30 33 36 05 | a0 44 40 83 98 98 00 00 |..10036.|.D@.....|
|000052c0| 00 03 00 00 00 35 00 00 | 0d 52 73 52 63 70 70 55 |.....5..|.RsRcppU|
|000052d0| 41 31 30 30 33 37 00 00 | 00 05 01 bc 54 30 98 98 |A10037..|....T0..|
|000052e0| 00 00 31 30 30 33 37 05 | a0 44 40 83 98 98 00 00 |..10037.|.D@.....|
|000052f0| 00 05 00 00 00 35 00 00 | 0d 52 73 52 63 70 70 55 |.....5..|.RsRcppU|
|00005300| 41 31 30 30 33 38 00 00 | 00 05 01 bc 54 30 98 98 |A10038..|....T0..|
|00005310| 00 00 31 30 30 33 38 05 | a0 44 40 83 98 98 00 00 |..10038.|.D@.....|
|00005320| 00 07 00 00 00 35 00 00 | 0d 52 73 52 63 70 70 55 |.....5..|.RsRcppU|
|00005330| 41 31 30 30 33 39 00 00 | 00 05 01 bc 54 30 98 98 |A10039..|....T0..|
|00005340| 00 00 31 30 30 33 39 05 | a0 44 40 83 98 98 00 00 |..10039.|.D@.....|
|00005350| 00 09 00 00 00 35 00 00 | 0d 52 73 52 63 70 70 55 |.....5..|.RsRcppU|
|00005360| 41 31 30 30 34 30 00 00 | 00 05 01 bc 54 30 98 98 |A10040..|....T0..|
|00005370| 00 00 31 30 30 34 30 05 | a0 44 40 83 98 98 00 00 |..10040.|.D@.....|
|00005380| 00 0b 00 00 00 35 00 00 | 0d 52 73 52 63 70 70 55 |.....5..|.RsRcppU|
|00005390| 41 31 30 30 34 31 00 00 | 00 05 01 bc 54 30 98 98 |A10041..|....T0..|
|000053a0| 00 00 31 30 30 34 31 05 | a0 44 40 83 98 98 00 00 |..10041.|.D@.....|
|000053b0| 00 0d 00 00 00 35 00 00 | 0d 52 73 52 63 70 70 55 |.....5..|.RsRcppU|
|000053c0| 41 31 30 30 34 32 00 00 | 00 05 01 bc 54 30 98 98 |A10042..|....T0..|
|000053d0| 00 00 31 30 30 34 32 05 | a0 44 40 83 98 98 00 00 |..10042.|.D@.....|
|000053e0| 00 0f 00 00 00 35 00 00 | 0d 52 73 52 63 70 70 55 |.....5..|.RsRcppU|
|000053f0| 41 31 30 30 34 33 00 00 | 00 05 01 bc 54 30 98 98 |A10043..|....T0..|
|00005400| 00 00 31 30 30 34 33 05 | a0 44 40 83 98 98 00 00 |..10043.|.D@.....|
|00005410| 00 11 00 00 00 35 00 00 | 0d 52 73 52 63 70 70 55 |.....5..|.RsRcppU|
|00005420| 41 31 30 30 34 34 00 00 | 00 05 01 bc 54 30 98 98 |A10044..|....T0..|
|00005430| 00 00 31 30 30 34 34 05 | a0 44 40 83 98 98 00 00 |..10044.|.D@.....|
|00005440| 00 01 00 00 00 36 00 00 | 0d 52 73 52 63 70 70 55 |.....6..|.RsRcppU|
|00005450| 41 31 30 30 34 35 00 00 | 00 05 01 bc 54 30 98 98 |A10045..|....T0..|
|00005460| 00 00 31 30 30 34 35 05 | a0 44 40 83 98 98 00 00 |..10045.|.D@.....|
|00005470| 00 04 00 00 00 36 00 00 | 00 00 00 00 00 00 00 00 |.....6..|........|
|00005480| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 03 4f |........|.......O|
|00005490| 00 18 00 00 00 2b 00 00 | 46 69 6c 65 2f 4f 70 74 |.....+..|File/Opt|
|000054a0| 69 6f 6e 73 3a 20 47 65 | 6e 65 72 61 6c 0d 20 a5 |ions: Ge|neral. .|
|000054b0| 20 46 69 6c 65 20 74 69 | 74 6c 65 20 63 61 6e 20 | File ti|tle can |
|000054c0| 62 65 20 75 73 65 64 20 | 74 6f 20 65 6e 74 65 72 |be used |to enter|
|000054d0| 20 61 20 64 65 73 63 72 | 69 70 74 69 76 65 20 74 | a descr|iptive t|
|000054e0| 65 78 74 20 74 68 61 74 | 20 77 69 6c 6c 20 62 65 |ext that| will be|
|000054f0| 20 69 6e 63 6c 75 64 65 | 64 20 69 6e 20 70 72 69 | include|d in pri|
|00005500| 6e 74 6f 75 74 73 20 65 | 74 63 2e 0d 20 a5 20 53 |ntouts e|tc.. . S|
|00005510| 70 65 63 74 72 6f 6d 65 | 74 65 72 20 66 72 65 71 |pectrome|ter freq|
|00005520| 75 65 6e 63 79 20 73 68 | 6f 75 6c 64 20 62 65 20 |uency sh|ould be |
|00005530| 73 65 74 20 74 6f 20 74 | 68 65 20 73 70 65 63 74 |set to t|he spect|
|00005540| 72 6f 6d 65 74 65 72 20 | 66 72 65 71 75 65 6e 63 |rometer |frequenc|
|00005550| 79 20 66 6f 72 20 31 48 | 2e 20 46 72 65 71 75 65 |y for 1H|. Freque|
|00005560| 6e 63 69 65 73 20 66 6f | 72 20 61 6c 6c 20 6f 74 |ncies fo|r all ot|
|00005570| 68 65 72 20 6e 75 63 6c | 65 69 20 77 69 6c 6c 20 |her nucl|ei will |
|00005580| 62 65 20 63 61 6c 63 75 | 6c 61 74 65 64 20 66 72 |be calcu|lated fr|
|00005590| 6f 6d 20 74 68 69 73 20 | 76 61 6c 75 65 2e 0d 20 |om this |value.. |
|000055a0| a5 20 53 63 61 6c 65 20 | 75 6e 69 74 73 20 63 61 |. Scale |units ca|
|000055b0| 6e 20 62 65 20 73 65 74 | 20 74 6f 20 65 69 74 68 |n be set| to eith|
|000055c0| 65 72 20 70 70 6d 20 6f | 72 20 48 7a 2e 20 59 6f |er ppm o|r Hz. Yo|
|000055d0| 75 20 63 61 6e 20 61 6c | 73 6f 20 63 68 61 6e 67 |u can al|so chang|
|000055e0| 65 20 74 68 69 73 20 73 | 65 74 74 69 6e 67 73 20 |e this s|ettings |
|000055f0| 77 69 74 68 20 74 68 65 | 20 50 6c 6f 74 2f 55 6e |with the| Plot/Un|
|00005600| 69 74 73 20 6d 65 6e 75 | 20 63 6f 6d 6d 61 6e 64 |its menu| command|
|00005610| 2e 0d 20 a5 20 59 6f 75 | 20 63 61 6e 20 63 68 6f |.. . You| can cho|
|00005620| 6f 73 65 20 62 65 74 77 | 65 65 6e 20 6e 6f 72 6d |ose betw|een norm|
|00005630| 61 6c 20 28 69 73 6f 74 | 72 6f 70 69 63 29 20 61 |al (isot|ropic) a|
|00005640| 6e 64 20 70 61 72 74 69 | 61 6c 6c 79 20 6f 72 69 |nd parti|ally ori|
|00005650| 65 6e 74 65 64 20 28 61 | 6e 69 73 6f 74 72 6f 70 |ented (a|nisotrop|
|00005660| 69 63 29 20 73 70 65 63 | 74 72 61 2e 20 41 6e 69 |ic) spec|tra. Ani|
|00005670| 73 6f 74 72 6f 70 69 63 | 20 73 70 65 63 74 72 61 |sotropic| spectra|
|00005680| 00 02 00 03 00 00 00 00 | 00 00 00 00 00 00 01 67 |........|.......g|
|00005690| 00 98 00 00 00 6c 00 2c | 00 00 00 08 00 24 00 00 |.....l.,|.....$..|
|000056a0| 00 08 01 71 00 01 70 63 | 54 41 27 36 6f 6e 73 20 |...q..pc|TA'6ons |
|000056b0| 6f 66 20 6d 6f 6c 65 63 | 75 6c 61 72 20 66 72 61 |of molec|ular fra|
|000056c0| 67 6d 65 6e 74 73 20 6e | 65 63 65 73 73 61 72 79 |gments n|ecessary|
|000056d0| 20 66 6f 72 20 69 6d 70 | 6f 72 74 69 6e 67 20 73 | for imp|orting s|
|000056e0| 74 72 75 63 74 75 72 65 | 73 20 61 6e 64 20 70 72 |tructure|s and pr|
|000056f0| 65 64 69 63 74 69 6e 67 | 20 73 68 69 66 74 73 20 |edicting| shifts |
|00005700| 61 6e 64 20 63 6f 75 70 | 6c 69 6e 67 20 63 6f 6e |and coup|ling con|
|00005710| 73 74 61 6e 74 73 2e 0d | 20 61 72 65 20 75 73 75 |stants..| are usu|
|00005720| 61 6c 6c 79 20 72 65 63 | 6f 72 64 65 64 20 69 6e |ally rec|orded in|
|00005730| 20 6c 69 71 75 69 64 20 | 63 72 79 73 74 61 6c 6c | liquid |crystall|
|00005740| 69 6e 65 20 73 6f 6c 76 | 65 6e 74 73 2e 0d 20 a5 |ine solv|ents.. .|
|00005750| 20 49 6e 63 6c 75 64 65 | 20 63 6f 75 70 6c 69 6e | Include| couplin|
|00005760| 67 20 74 6f 20 53 20 3e | 20 31 2f 32 20 69 73 6f |g to S >| 1/2 iso|
|00005770| 74 6f 70 65 73 20 73 68 | 6f 75 6c 64 20 62 65 20 |topes sh|ould be |
|00005780| 63 68 65 63 6b 65 64 20 | 69 66 20 79 6f 75 20 77 |checked |if you w|
|00005790| 61 6e 74 20 74 6f 20 69 | 6e 63 6c 75 64 65 20 63 |ant to i|nclude c|
|000057a0| 6f 75 70 6c 69 6e 67 20 | 74 6f 20 61 6c 6c 20 4e |oupling |to all N|
|000057b0| 4d 52 2d 61 63 74 69 76 | 65 20 69 73 6f 74 6f 70 |MR-activ|e isotop|
|000057c0| 65 73 20 6f 66 20 61 6c | 6c 20 6e 75 63 6c 65 69 |es of al|l nuclei|
|000057d0| 2e 20 4e 6f 72 6d 61 6c | 6c 79 2c 20 67 4e 4d 52 |. Normal|ly, gNMR|
|000057e0| 20 77 69 6c 6c 20 69 67 | 6e 6f 72 65 20 74 68 65 | will ig|nore the|
|000057f0| 20 71 75 61 64 72 75 70 | 6f 6c 61 72 20 69 73 6f | quadrup|olar iso|
|00005800| 74 6f 70 65 73 20 66 6f | 72 20 6e 75 63 6c 65 69 |topes fo|r nuclei|
|00005810| 20 68 61 76 69 6e 67 20 | 62 6f 74 68 20 53 20 3d | having |both S =|
|00005820| 20 31 2f 32 20 61 6e 64 | 20 68 69 67 68 65 72 2d | 1/2 and| higher-|
|00005830| 73 70 69 6e 20 69 73 6f | 74 6f 70 65 73 2e 0d 20 |spin iso|topes.. |
|00005840| a5 20 4c 69 6e 65 73 68 | 61 70 65 20 63 61 6e 20 |. Linesh|ape can |
|00005850| 62 65 20 73 65 74 20 74 | 6f 20 4c 6f 72 65 6e 74 |be set t|o Lorent|
|00005860| 7a 69 61 6e 2c 20 47 61 | 75 73 73 69 61 6e 20 61 |zian, Ga|ussian a|
|00005870| 6e 64 20 54 72 69 61 6e | 67 75 6c 61 72 2e 0d 00 |nd Trian|gular...|
|00005880| 00 00 00 00 00 9b 00 00 | 00 1c 00 00 00 3a 00 0a |........|.....:..|
|00005890| 00 01 00 00 00 27 00 00 | 0d 52 73 52 63 70 63 54 |.....'..|.RsRcpcT|
|000058a0| 41 31 30 30 33 37 00 00 | 00 05 01 bc 54 30 98 98 |A10037..|....T0..|
|000058b0| 00 00 31 30 30 33 37 05 | a0 44 40 83 98 98 00 00 |..10037.|.D@.....|
|000058c0| 00 03 00 00 00 27 00 00 | 0d 52 73 52 63 70 63 54 |.....'..|.RsRcpcT|
|000058d0| 41 31 30 30 33 38 00 00 | 00 05 01 bc 54 30 98 98 |A10038..|....T0..|
|000058e0| 00 00 31 30 30 33 38 05 | a0 44 40 83 98 98 00 00 |..10038.|.D@.....|
|000058f0| 00 05 00 00 00 27 00 00 | 0d 52 73 52 63 70 63 54 |.....'..|.RsRcpcT|
|00005900| 41 31 30 30 33 39 00 00 | 00 05 01 bc 54 30 98 98 |A10039..|....T0..|
|00005910| 00 00 31 30 30 33 39 05 | a0 44 40 83 98 98 00 00 |..10039.|.D@.....|
|00005920| 00 02 00 00 00 30 00 00 | 0d 52 73 52 63 70 63 54 |.....0..|.RsRcpcT|
|00005930| 41 31 30 30 34 30 00 00 | 00 05 01 bc 54 30 98 98 |A10040..|....T0..|
|00005940| 00 00 31 30 30 34 30 05 | a0 44 40 83 98 98 00 00 |..10040.|.D@.....|
|00005950| 00 04 00 00 00 30 00 00 | 0d 52 73 52 63 70 63 54 |.....0..|.RsRcpcT|
|00005960| 41 31 30 30 34 31 00 00 | 00 05 01 bc 54 30 98 98 |A10041..|....T0..|
|00005970| 00 00 31 30 30 34 31 05 | a0 44 40 83 98 98 00 00 |..10041.|.D@.....|
|00005980| 00 07 00 00 00 30 00 00 | 0d 52 73 52 63 70 63 54 |.....0..|.RsRcpcT|
|00005990| 41 31 30 30 34 32 00 00 | 00 05 01 bc 54 30 98 98 |A10042..|....T0..|
|000059a0| 00 00 31 30 30 34 32 05 | a0 44 40 83 98 98 00 00 |..10042.|.D@.....|
|000059b0| 00 02 00 00 00 33 00 00 | 0d 52 73 52 63 70 63 54 |.....3..|.RsRcpcT|
|000059c0| 41 31 30 30 34 33 00 00 | 00 05 01 bc 54 30 98 98 |A10043..|....T0..|
|000059d0| 00 00 31 30 30 34 33 05 | a0 44 40 83 98 98 00 00 |..10043.|.D@.....|
|000059e0| 00 02 00 00 00 35 00 00 | 0d 52 73 52 63 70 63 54 |.....5..|.RsRcpcT|
|000059f0| 41 31 30 30 34 34 00 00 | 00 05 01 bc 54 30 98 98 |A10044..|....T0..|
|00005a00| 00 00 31 30 30 34 34 05 | a0 44 40 83 98 98 00 00 |..10044.|.D@.....|
|00005a10| 00 04 00 00 00 35 00 00 | 0d 52 73 52 63 70 63 54 |.....5..|.RsRcpcT|
|00005a20| 41 31 30 30 34 35 00 00 | 00 05 01 bc 54 30 98 98 |A10045..|....T0..|
|00005a30| 00 00 31 30 30 34 35 05 | a0 44 40 83 98 98 00 00 |..10045.|.D@.....|
|00005a40| 00 06 00 00 00 35 00 00 | 0d 52 73 52 63 70 63 54 |.....5..|.RsRcpcT|
|00005a50| 41 31 30 30 34 36 00 00 | 00 05 01 bc 54 30 98 98 |A10046..|....T0..|
|00005a60| 00 00 31 30 30 34 36 05 | a0 44 40 83 98 98 00 00 |..10046.|.D@.....|
|00005a70| 00 08 00 00 00 35 00 00 | 00 00 00 00 00 00 00 00 |.....5..|........|
|00005a80| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 04 c6 |........|........|
|00005a90| 00 18 00 00 00 2e 00 00 | 46 69 6c 65 2f 4f 70 74 |........|File/Opt|
|00005aa0| 69 6f 6e 73 3a 20 53 79 | 6d 6d 65 74 72 79 0d 20 |ions: Sy|mmetry. |
|00005ab0| a5 20 55 73 65 20 53 79 | 6d 6d 65 74 72 79 20 63 |. Use Sy|mmetry c|
|00005ac0| 61 6e 20 62 65 20 73 65 | 74 20 74 6f 20 22 42 79 |an be se|t to "By|
|00005ad0| 20 56 61 6c 75 65 73 22 | 20 28 6d 65 61 6e 69 6e | Values"| (meanin|
|00005ae0| 67 20 74 68 61 74 20 67 | 4e 4d 52 20 64 65 74 65 |g that g|NMR dete|
|00005af0| 72 6d 69 6e 65 73 20 73 | 79 6d 6d 65 74 72 79 20 |rmines s|ymmetry |
|00005b00| 75 73 69 6e 67 20 74 68 | 65 20 76 61 6c 75 65 73 |using th|e values|
|00005b10| 20 6f 66 20 73 68 69 66 | 74 73 20 61 6e 64 20 63 | of shif|ts and c|
|00005b20| 6f 75 70 6c 69 6e 67 20 | 63 6f 6e 73 74 61 6e 74 |oupling |constant|
|00005b30| 73 29 2c 20 22 42 79 20 | 4e 61 6d 65 73 22 20 28 |s), "By |Names" (|
|00005b40| 69 6e 20 77 68 69 63 68 | 20 63 61 73 65 20 6f 6e |in which| case on|
|00005b50| 6c 79 20 70 61 72 61 6d | 65 74 65 72 73 20 62 65 |ly param|eters be|
|00005b60| 61 72 69 6e 67 20 74 68 | 65 20 73 61 6d 65 20 70 |aring th|e same p|
|00005b70| 61 72 61 6d 65 74 65 72 | 20 76 61 6c 75 65 20 77 |arameter| value w|
|00005b80| 69 6c 6c 20 62 65 20 63 | 6f 6e 73 69 64 65 72 65 |ill be c|onsidere|
|00005b90| 64 20 65 71 75 61 6c 29 | 2c 20 6f 72 20 22 4e 6f |d equal)|, or "No|
|00005ba0| 6e 65 22 20 28 74 6f 20 | 64 69 73 61 62 6c 65 20 |ne" (to |disable |
|00005bb0| 73 79 6d 6d 65 74 72 79 | 20 75 73 61 67 65 29 2e |symmetry| usage).|
|00005bc0| 0d 20 a5 20 53 79 6d 6d | 65 74 72 79 20 77 69 74 |. . Symm|etry wit|
|00005bd0| 68 20 61 73 73 69 67 6e | 6d 65 6e 74 73 20 63 61 |h assign|ments ca|
|00005be0| 6e 20 62 65 20 63 68 65 | 63 6b 65 64 20 69 66 20 |n be che|cked if |
|00005bf0| 79 6f 75 20 77 61 6e 74 | 20 74 6f 20 75 73 65 20 |you want| to use |
|00005c00| 73 79 6d 6d 65 74 72 79 | 20 64 75 72 69 6e 67 20 |symmetry| during |
|00005c10| 61 73 73 69 67 6e 6d 65 | 6e 74 20 69 74 65 72 61 |assignme|nt itera|
|00005c20| 74 69 6f 6e 2e 20 54 68 | 69 73 20 69 73 20 6f 66 |tion. Th|is is of|
|00005c30| 66 20 62 79 20 64 65 66 | 61 75 6c 74 3b 20 77 69 |f by def|ault; wi|
|00005c40| 74 68 20 74 68 69 73 20 | 66 6c 61 67 20 6f 6e 2c |th this |flag on,|
|00005c50| 20 61 6e 79 20 63 68 61 | 6e 67 65 73 20 69 6e 20 | any cha|nges in |
|00005c60| 74 68 65 20 73 79 6d 6d | 65 74 72 79 20 6f 66 20 |the symm|etry of |
|00005c70| 74 68 65 20 73 79 73 74 | 65 6d 20 77 69 6c 6c 20 |the syst|em will |
|00005c80| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 02 de |........|........|
|00005c90| 00 18 00 00 00 25 00 01 | 63 61 75 73 65 20 67 4e |.....%..|cause gN|
|00005ca0| 4d 52 20 74 6f 20 66 6f | 72 67 65 74 20 61 6c 6c |MR to fo|rget all|
|00005cb0| 20 61 73 73 69 67 6e 6d | 65 6e 74 73 2e 0d 20 a5 | assignm|ents.. .|
|00005cc0| 20 50 65 72 74 75 72 62 | 61 74 69 6f 6e 20 74 68 | Perturb|ation th|
|00005cd0| 72 65 73 68 6f 6c 64 20 | 67 69 76 65 73 20 74 68 |reshold |gives th|
|00005ce0| 65 20 4a 2f 20 20 63 72 | 69 74 65 72 69 6f 6e 20 |e J/  cr|iterion |
|00005cf0| 62 65 6c 6f 77 20 77 68 | 69 63 68 20 67 4e 4d 52 |below wh|ich gNMR|
|00005d00| 20 77 69 6c 6c 20 75 73 | 65 20 70 65 72 74 75 72 | will us|e pertur|
|00005d10| 62 61 74 69 6f 6e 20 74 | 68 65 6f 72 79 20 74 6f |bation t|heory to|
|00005d20| 20 73 69 6d 70 6c 69 66 | 79 20 63 61 6c 63 75 6c | simplif|y calcul|
|00005d30| 61 74 69 6f 6e 73 2e 0d | 20 a5 20 43 68 75 6e 6b |ations..| . Chunk|
|00005d40| 69 6e 67 20 6d 65 74 68 | 6f 64 20 63 6f 6e 74 72 |ing meth|od contr|
|00005d50| 6f 6c 73 20 74 68 65 20 | 75 73 65 20 6f 66 20 61 |ols the |use of a|
|00005d60| 70 70 72 6f 78 69 6d 61 | 74 65 20 22 63 68 75 6e |pproxima|te "chun|
|00005d70| 6b 69 6e 67 22 20 63 61 | 6c 63 75 6c 61 74 69 6f |king" ca|lculatio|
|00005d80| 6e 73 2e 20 49 74 20 63 | 61 6e 20 62 65 20 73 65 |ns. It c|an be se|
|00005d90| 74 20 74 6f 20 4e 6f 6e | 65 20 28 74 68 65 20 64 |t to Non|e (the d|
|00005da0| 65 66 61 75 6c 74 2c 20 | 6e 6f 20 61 70 70 72 6f |efault, |no appro|
|00005db0| 78 69 6d 61 74 65 20 6d | 65 74 68 6f 64 73 20 75 |ximate m|ethods u|
|00005dc0| 73 65 64 29 2c 20 46 69 | 6e 65 20 61 6e 64 20 43 |sed), Fi|ne and C|
|00005dd0| 6f 61 72 73 65 2e 20 53 | 65 65 20 74 68 65 20 67 |oarse. S|ee the g|
|00005de0| 4e 4d 52 20 6d 61 6e 75 | 61 6c 20 66 6f 72 20 6d |NMR manu|al for m|
|00005df0| 6f 72 65 20 64 65 74 61 | 69 6c 73 20 61 62 6f 75 |ore deta|ils abou|
|00005e00| 74 20 61 70 70 72 6f 78 | 69 6d 61 74 65 20 63 61 |t approx|imate ca|
|00005e10| 6c 63 75 6c 61 74 69 6f | 6e 73 2e 0d 20 a5 20 53 |lculatio|ns.. . S|
|00005e20| 74 61 72 74 20 63 68 75 | 6e 6b 69 6e 67 20 73 65 |tart chu|nking se|
|00005e30| 74 73 20 74 68 65 20 73 | 79 73 74 65 6d 20 73 69 |ts the s|ystem si|
|00005e40| 7a 65 20 61 62 6f 76 65 | 20 77 68 69 63 68 20 67 |ze above| which g|
|00005e50| 4e 4d 52 20 77 69 6c 6c | 20 74 72 79 20 74 6f 20 |NMR will| try to |
|00005e60| 75 73 65 20 61 70 70 72 | 6f 78 69 6d 61 74 65 20 |use appr|oximate |
|00005e70| 63 61 6c 63 75 6c 61 74 | 69 6f 6e 73 2e 0d 20 a5 |calculat|ions.. .|
|00005e80| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 02 1d |........|........|
|00005e90| 00 18 00 00 00 23 00 02 | 67 4e 4d 52 20 75 73 65 |.....#..|gNMR use|
|00005ea0| 73 20 74 77 6f 20 6d 61 | 69 6e 20 66 69 6c 65 20 |s two ma|in file |
|00005eb0| 74 79 70 65 73 3a 0d 0d | 20 a5 20 44 61 74 61 20 |types:..| . Data |
|00005ec0| 66 69 6c 65 73 20 28 66 | 69 6c 65 20 74 79 70 65 |files (f|ile type|
|00005ed0| 20 27 4e 4d 52 24 27 2c | 20 63 72 65 61 74 6f 72 | 'NMR$',| creator|
|00005ee0| 20 27 67 4e 4d 52 27 29 | 20 61 72 65 20 75 73 65 | 'gNMR')| are use|
|00005ef0| 64 20 74 6f 20 73 74 6f | 72 65 20 73 69 6d 75 6c |d to sto|re simul|
|00005f00| 61 74 69 6f 6e 20 64 61 | 74 61 20 28 73 70 65 63 |ation da|ta (spec|
|00005f10| 74 72 6f 6d 65 74 65 72 | 20 66 72 65 71 75 65 6e |trometer| frequen|
|00005f20| 63 79 2c 20 6d 6f 6c 65 | 63 75 6c 65 20 69 6e 66 |cy, mole|cule inf|
|00005f30| 6f 72 6d 61 74 69 6f 6e | 2c 20 70 6c 6f 74 20 77 |ormation|, plot w|
|00005f40| 69 6e 64 6f 77 20 64 65 | 73 63 72 69 70 74 69 6f |indow de|scriptio|
|00005f50| 6e 73 2c 20 65 74 63 2e | 29 2e 0d 0d 20 a5 20 53 |ns, etc.|)... . S|
|00005f60| 70 65 63 74 72 75 6d 20 | 66 69 6c 65 73 20 28 66 |pectrum |files (f|
|00005f70| 69 6c 65 20 74 79 70 65 | 20 27 53 50 47 24 27 2c |ile type| 'SPG$',|
|00005f80| 20 63 72 65 61 74 6f 72 | 20 27 67 53 50 47 27 29 | creator| 'gSPG')|
|00005f90| 20 61 72 65 20 75 73 65 | 64 20 74 6f 20 73 74 6f | are use|d to sto|
|00005fa0| 72 65 20 65 78 70 65 72 | 69 6d 65 6e 74 61 6c 20 |re exper|imental |
|00005fb0| 73 70 65 63 74 72 61 20 | 63 6f 6e 76 65 72 74 65 |spectra |converte|
|00005fc0| 64 20 74 6f 20 67 4e 4d | 52 20 66 6f 72 6d 61 74 |d to gNM|R format|
|00005fd0| 2e 0d 67 53 50 47 20 63 | 61 6e 20 62 65 20 75 73 |..gSPG c|an be us|
|00005fe0| 65 64 20 74 6f 20 6d 6f | 64 69 66 79 20 74 68 65 |ed to mo|dify the|
|00005ff0| 73 65 20 66 69 6c 65 73 | 2e 0d 67 4e 4d 52 20 63 |se files|..gNMR c|
|00006000| 61 6e 20 6f 6e 6c 79 20 | 72 65 61 64 20 74 68 65 |an only |read the|
|00006010| 6d 2c 20 65 2e 67 2e 20 | 66 6f 72 20 73 69 6d 75 |m, e.g. |for simu|
|00006020| 6c 74 61 6e 65 6f 75 73 | 20 64 69 73 70 6c 61 79 |ltaneous| display|
|00006030| 20 6f 66 20 63 61 6c 63 | 75 6c 61 74 65 64 20 61 | of calc|ulated a|
|00006040| 6e 64 20 65 78 70 65 72 | 69 6d 65 6e 74 61 6c 20 |nd exper|imental |
|00006050| 73 70 65 63 74 72 61 2e | 0d 49 6e 20 61 64 64 69 |spectra.|.In addi|
|00006060| 74 69 6f 6e 2c 20 67 4e | 4d 52 20 63 61 6e 20 77 |tion, gN|MR can w|
|00006070| 72 69 74 65 20 61 20 63 | 61 6c 63 75 6c 61 74 65 |rite a c|alculate|
|00006080| 00 02 00 09 00 00 00 00 | 00 00 00 00 00 00 00 d5 |........|........|
|00006090| 01 2a 00 00 00 22 01 08 | 00 00 00 0c 00 fc 00 00 |.*..."..|........|
|000060a0| 00 08 00 f4 00 00 00 0c | 00 e8 00 00 00 08 00 e0 |........|........|
|000060b0| 00 00 00 85 00 5b 00 00 | 00 0c 00 4f 00 00 00 08 |.....[..|...O....|
|000060c0| 00 47 74 68 65 20 6c 00 | 01 70 63 54 41 27 39 27 |.Gthe l.|.pcTA'9'|
|000060d0| 49 00 00 00 0a 00 2c 01 | 49 ff fe 54 68 65 20 66 |I.....,.|I..The f|
|000060e0| 69 6e 61 6c 20 74 77 6f | 20 6f 70 74 69 6f 6e 73 |inal two| options|
|000060f0| 20 63 61 6e 20 74 65 6c | 6c 20 67 4e 4d 52 20 74 | can tel|l gNMR t|
|00006100| 6f 20 74 72 79 20 74 6f | 20 70 72 65 64 69 63 74 |o try to| predict|
|00006110| 20 63 68 65 6d 69 63 61 | 6c 20 73 68 69 66 74 73 | chemica|l shifts|
|00006120| 20 61 6e 64 2f 6f 72 20 | 63 6f 75 70 6c 69 6e 67 | and/or |coupling|
|00006130| 20 63 6f 6e 73 74 61 6e | 74 73 20 75 73 69 6e 67 | constan|ts using|
|00006140| 20 61 20 66 65 77 20 73 | 69 6d 70 6c 65 20 61 64 | a few s|imple ad|
|00006150| 64 69 74 69 76 69 74 79 | 20 72 75 6c 65 73 2e 0d |ditivity| rules..|
|00006160| 00 01 70 63 54 41 27 38 | 27 48 00 00 00 0a 00 8e |..pcTA'8|'H......|
|00006170| 01 49 ff fe 00 01 70 63 | 54 41 27 37 27 47 00 00 |.I....pc|TA'7'G..|
|00006180| 00 0a 00 c6 01 49 ff fe | 74 68 65 20 73 74 72 75 |.....I..|the stru|
|00006190| 63 74 75 72 65 20 77 69 | 6c 6c 20 62 65 20 72 65 |cture wi|ll be re|
|000061a0| 63 6f 67 6e 69 7a 65 64 | 2e 0d 42 6f 74 68 20 67 |cognized|..Both g|
|000061b0| 4e 4d 52 20 61 6e 64 20 | 67 53 50 47 20 6d 61 69 |NMR and |gSPG mai|
|000061c0| 6e 74 61 69 6e 20 68 69 | 73 74 6f 72 79 20 66 69 |ntain hi|story fi|
|000061d0| 6c 65 73 20 28 4c 6f 67 | 20 66 69 6c 65 73 29 20 |les (Log| files) |
|000061e0| 62 65 6c 6f 6e 67 69 6e | 67 20 74 6f 20 74 68 65 |belongin|g to the|
|000061f0| 69 72 20 64 61 74 61 20 | 61 6e 64 20 73 70 65 63 |ir data |and spec|
|00006200| 74 72 75 6d 20 66 69 6c | 65 73 2e 0d 54 68 65 69 |trum fil|es..Thei|
|00006210| 72 20 6e 61 6d 65 73 20 | 61 72 65 20 75 73 75 61 |r names |are usua|
|00006220| 6c 6c 79 20 63 6f 6e 73 | 74 72 75 63 74 65 64 20 |lly cons|tructed |
|00006230| 66 72 6f 6d 20 74 68 65 | 20 6f 72 69 67 69 6e 61 |from the| origina|
|00006240| 6c 20 66 69 6c 65 6e 61 | 6d 65 73 20 61 6e 64 20 |l filena|mes and |
|00006250| 74 68 65 20 73 75 66 66 | 69 78 20 22 a5 4c 6f 67 |the suff|ix ".Log|
|00006260| 22 2e 0d 54 68 65 79 20 | 61 72 65 20 73 69 6d 70 |"..They |are simp|
|00006270| 6c 65 20 74 65 78 74 20 | 66 69 6c 65 73 2e 0d 00 |le text |files...|
|00006280| 00 02 00 01 00 00 00 00 | 00 00 00 00 00 00 02 54 |........|.......T|
|00006290| 00 18 00 00 00 2b 00 01 | 49 6e 20 61 64 64 69 74 |.....+..|In addit|
|000062a0| 69 6f 6e 2c 20 74 68 65 | 20 67 4e 4d 52 20 70 72 |ion, the| gNMR pr|
|000062b0| 6f 67 72 61 6d 73 20 63 | 61 6e 20 75 73 65 20 74 |ograms c|an use t|
|000062c0| 68 65 20 66 6f 6c 6c 6f | 77 69 6e 67 20 66 69 6c |he follo|wing fil|
|000062d0| 65 73 20 69 66 20 74 68 | 65 79 20 61 72 65 20 70 |es if th|ey are p|
|000062e0| 72 65 73 65 6e 74 2e 0d | 54 68 65 79 20 63 61 6e |resent..|They can|
|000062f0| 20 62 65 20 65 69 74 68 | 65 72 20 69 6e 20 74 68 | be eith|er in th|
|00006300| 65 20 67 4e 4d 52 20 66 | 6f 6c 64 65 72 20 6f 72 |e gNMR f|older or|
|00006310| 20 69 6e 20 79 6f 75 72 | 20 50 72 65 66 65 72 65 | in your| Prefere|
|00006320| 6e 63 65 73 20 66 6f 6c | 64 65 72 2e 0d 20 a5 20 |nces fol|der.. . |
|00006330| 22 67 4e 4d 52 20 56 33 | 2e 36 20 50 72 65 66 65 |"gNMR V3|.6 Prefe|
|00006340| 72 65 6e 63 65 73 22 20 | 69 73 20 75 73 65 64 20 |rences" |is used |
|00006350| 74 6f 20 73 74 6f 72 65 | 20 70 72 65 66 65 72 65 |to store| prefere|
|00006360| 6e 63 65 73 2e 0d 20 a5 | 20 22 67 4e 4d 52 20 56 |nces.. .| "gNMR V|
|00006370| 33 2e 36 20 49 73 6f 74 | 6f 70 65 73 20 4c 69 73 |3.6 Isot|opes Lis|
|00006380| 74 22 20 63 61 6e 20 62 | 65 20 75 73 65 64 20 74 |t" can b|e used t|
|00006390| 6f 20 73 75 70 70 6c 79 | 20 61 20 63 75 73 74 6f |o supply| a custo|
|000063a0| 6d 69 7a 65 64 20 69 73 | 6f 74 6f 70 65 73 20 6c |mized is|otopes l|
|000063b0| 69 73 74 20 28 73 65 65 | 20 6d 61 6e 75 61 6c 20 |ist (see| manual |
|000063c0| 66 6f 72 20 64 65 74 61 | 69 6c 73 29 2e 0d 20 a5 |for deta|ils).. .|
|000063d0| 20 22 67 4e 4d 52 20 56 | 33 2e 36 20 47 72 6f 75 | "gNMR V|3.6 Grou|
|000063e0| 70 73 20 44 61 74 61 62 | 61 73 65 22 20 63 6f 6e |ps Datab|ase" con|
|000063f0| 74 61 69 6e 73 20 73 79 | 6d 6d 65 74 72 79 20 67 |tains sy|mmetry g|
+--------+-------------------------+-------------------------+--------+--------+
Only 25.0 KB of data is shown above.