Dear All,
I got some spectrums from others but do not know to process.
1. I got N15-HSQC and HNCACB in processed form and they look fine.
2. I tried to use this NMRpipe script to to process the CBCACONH, by
changing
the CCC value and have Carbon peaks in CBCACONH line up
with those in HNCACB,
it looks fine.
#!/bin/csh
bruk2pipe -in ./ser -bad 0.0 -noaswap -DMX -decim 16 -dspfvs 12 -grpdly
-1 \
-xN 2048 -yN 50 -zN 128 \
-xT 1024 -yT 25 -zT 64 \
-xMODE DQD -yMODE States-TPPI -zMODE States-TPPI \
-xSW 8389.262 -ySW 1459.854 -zSW 11325.028 \
-xOBS AAA -yOBS 60.824 -zOBS
BBB \
-xCAR 4.725 -yCAR 118.118 -zCAR CCC
\
-xLAB H -yLAB N -zLAB CACB \
-ndim 3 -aq2D States \
-out ./data/data%03d.fid -verb -ov
3. Then I have HBHACONH that I try to use this script, but have
trouble. First I had to
change AAA value to have the H-N projection overlay with
the N15-HSQC. Then I
thought the CACB in this should be HAHB, and values is 1-10. I
needed to change
the BBB and CCC values to change the peak values in
this spectrum. Unlike the
CBCACONH spec, I do not know what values I should get in the
CACB(HAHB)
dimension, so I cannot get it done.
4. When I look in the directory of this spectrum, I see several files:
acqu acqus
data pdata spnam1 spnam8
acqu2 fid prosol_History spnam2 test
acqu2s audita.txt format.temp pulseprogram spnam3 test_1
acqu3 cpdprg1 scon2 spnam5 test_2
acqu3s cpdprg3 ser spnam7 uxnmr.par
I wonder if there are files that I can retrieve correct values to feed
into the
above script, in order to correctly process this spec. I wanted to
change to
NMRpipe format and NMRView format. I have not idea where to get all
the values for
-xN
-yN -zN
-xT -yT -zT
-xMODE -yMODE -zMODE
-xSW -ySW -zSW
-xOBS -yOBS -zOBS
-xCAR -yCAR -zCAR
Are these values saved in Topspin, which is the software of the
spectrometer.
Any insight or suggestions would be highly appreciated.
Sincerely,
Weijun
