My software notes

January 26, 2006

Varian CRINEPT FID

Filed under: NMRPipe and NMRview — kpwu @ 3:50 am

Read from NMRPipe mailing list at Yahoo groups. A guy said the varian version crinept type TROSY has to be process into two files after process, like IPAP type experiment. Although I had processed a CRINEPT type TROSY obtained from Bruker 800MHz, I never know to do such seperation. Moreover, there are some special tips to know for processing such FID, I paste the scripts provided by the poster who said Frank Degladio gave him the script.

———– script starts at next line————

#!/bin/csh

var2pipe -in ./fid -noaswap  \
-xN              2050  -yN               128  \
-xT              1025  -yT                64  \
-xMODE        Complex  -yMODE      Rance-Kay  \
-xSW        13008.130  -ySW         3000.000  \
-xOBS         899.804  -yOBS          91.187  \
-xCAR           4.815  -yCAR         118.438  \
-xLAB              HN  -yLAB             N15  \
-ndim               2  -aq2D          States  \
-out ./test.fid -verb -ov

nmrPipe -in test.fid \
| nmrPipe -fn COADD -cList 1 0 -axis Y -time \
| nmrPipe  -fn SOL                                    \
| nmrPipe  -fn SP -off 0.5 -end 0.98 -pow 2 -c 0.5    \
| nmrPipe  -fn ZF -auto                               \
| nmrPipe  -fn FT                                     \
| nmrPipe  -fn PS -p0 120  -p1 0.0 -di                \
| nmrPipe  -fn EXT -left -sw -verb                    \
| nmrPipe  -fn TP                                     \
| nmrPipe  -fn SP -off 0.5 -end 0.98 -pow 1 -c 0.5    \
| nmrPipe  -fn ZF -auto                               \
| nmrPipe  -fn FT -neg                                     \
| nmrPipe  -fn PS -p0 90 -p1 0 -di                     \
-verb -ov -out A.ft2

nmrPipe -in test.fid \
| nmrPipe -fn COADD -cList 0 1 -axis Y -time \
| nmrPipe  -fn SOL                                    \
| nmrPipe  -fn SP -off 0.5 -end 0.98 -pow 2 -c 0.5    \
| nmrPipe  -fn ZF -auto                               \
| nmrPipe  -fn FT                                     \
| nmrPipe  -fn PS -p0 120  -p1 0.0 -di                \
| nmrPipe  -fn EXT -left -sw -verb                    \
| nmrPipe  -fn TP                                     \
| nmrPipe  -fn SP -off 0.5 -end 0.98 -pow 1 -c 0.5    \
| nmrPipe  -fn ZF -auto                               \
| nmrPipe  -fn FT -neg                                     \
| nmrPipe  -fn PS -p0 0 -p1 0 -di                     \
-verb -ov -out B.ft2

addNMR -in1 A.ft2 -in2 B.ft2 -out A+B.ft2 -add -c1 1.0 -c2 1.0
addNMR -in1 A.ft2 -in2 B.ft2 -out A-B.ft2 -sub -c1 1.0 -c2 1.0

——————– end ———————————————-

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1 Comment »

  1. Hello, I tried the CRIneptgpph on Bruker 800M, but really have no idea how to deal with the data on NMRpipe, could you give a nmrpipe script sample of CRInept(-Trosy) or some advices? thanks a lot.

    Comment by MA.X. — March 20, 2017 @ 9:17 pm | Reply


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