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posted Apr 08 '11 at 12:33

nadia1230's gravatar image

nadia1230
11

incorrect processing of 2D HSQC in NMRPipe - what is wrong?

i'm trying to process an HSQC by using standard scripts of NMRpipe, and get this:

https://picasaweb.google.com/Nadia.K.W/NMR#5593296316808640578

what is wrong in my processing? at the spectrometer the spectrum looked nice, so it's a matter of processing...

conversion:

bruk2pipe -in ../Bruker/ser -bad 0.0 -aswap -DMX -decim 2080 -dspfvs 20 -grpdly 67.9842 \ -xN 4096 -yN 512 \ -xT 2048 -yT 256 \ -xMODE DQD -yMODE States-TPPI \ -xSW 9615.38 -ySW 2100 \ -xOBS 599.762823 -yOBS 60.780 \ -xCAR 4.707 -yCAR 115.00 \ -xLAB HN -yLAB N \ -ndim 2 -aq2D States-TPPI \ -out ../Data/test.fid -verb -ov

processing:

nmrPipe -in ./test.fid \ | nmrPipe -fn POLY -time \ | nmrPipe -fn SINE -c 0.5 -off 0.45 -end 0.98 -pow 2 \ | nmrPipe -fn ZF -auto \ | nmrPipe -fn FT \ | nmrPipe -fn PS -p0 -20.0 -p1 0.0 -di \ | nmrPipe -fn EXT -left -sw \ | nmrPipe -fn TP \ | nmrPipe -fn SINE -c 0.5 -off 0.45 -end 0.98 -pow 2 \ | nmrPipe -fn ZF -auto \ | nmrPipe -fn FT \ | nmrPipe -fn PS -p0 0.0 -p1 0.0 -di \ | nmrPipe -fn TP \ | nmrPipe -out ./test.ft -ov

thanks for the tips!

Nadia

data-processing
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posted Apr 08 '11 at 14:21

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
577●1

incorrect processing of 2D HSQC in NMRPipe - what is wrong?

i'm trying to process an HSQC by using standard scripts of NMRpipe, and get this:

https://picasaweb.google.com/Nadia.K.W/NMR#5593296316808640578alt text

what is wrong in my processing? at the spectrometer the spectrum looked nice, so it's a matter of processing...

conversion: 

bruk2pipe -in ../Bruker/ser -bad 0.0 -aswap -DMX -decim 2080 -dspfvs 20 -grpdly 67.9842  \
  -xN              4096  -yN               512  \
  -xT              2048  -yT               256  \
  -xMODE           DQD  -yMODE        States-TPPI \
  -xSW         9615.38  -ySW         2100  \
  -xOBS      599.762823  -yOBS          60.780  \
  -xCAR          4.707  -yCAR         115.00  \
  -xLAB              HN  -yLAB               N  \
  -ndim               2  -aq2D          States-TPPI  \
  -out ../Data/test.fid -verb -ov
-ov

processing: 

nmrPipe -in ./test.fid      \
| nmrPipe -fn  POLY -time \
| nmrPipe -fn  SINE -c 0.5 -off 0.45 -end 0.98 -pow 2 \
| nmrPipe -fn  ZF   -auto \
| nmrPipe -fn  FT \
| nmrPipe -fn  PS   -p0 -20.0 -p1 0.0 -di \
| nmrPipe -fn EXT -left -sw      \
| nmrPipe -fn TP \
| nmrPipe -fn  SINE -c 0.5 -off 0.45 -end 0.98 -pow 2 \
| nmrPipe -fn  ZF   -auto \
| nmrPipe -fn  FT \
| nmrPipe -fn  PS   -p0 0.0 -p1 0.0 -di \
| nmrPipe -fn TP \
| nmrPipe -out ./test.ft -ov
-ov

thanks for the tips!

Nadia

data-processing
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