AMMRL:wrong 13C axis with nmrDraw

From: Koshlap, Karl M <karl_koshlap_at_unc.edu>
Date: Wed, 10 Feb 2016 21:35:28 +0000

Hi everyone;

I got some very good advice to include my conversion script:

#!/bin/csh

var2pipe -in fid \
-xN 2102 -yN 500 \
-xT 1051 -yT 250 \
-xMODE Complex -yMODE Echo-AntiEcho \
-xSW 7006.5 -ySW 15080.1 \
-xOBS 499.7871549 -yOB 125.6777986 \
-xCAR 5.99 -yCAR 55.02 \
-xLAB 1H -yLAB 13C \
-ndim 2 -aq2D States \
-out A.DAT -verb –ov

and my processing script:

#
nmrPipe -in A.DAT \
| nmrPipe -fn SP -off 0.5 -end 0.98 -c 0.5 -pow 2 \
| nmrPipe -fn ZF -size 2048 \
| nmrPipe -fn FT -verb \
| nmrPipe -fn PS -p0 -94.0 -p1 24.0 -di \
| nmrPipe -fn TP \
| nmrPipe -fn SP -off 0.50 -end 0.98 -c 1.0 -pow 2 \
| nmrPipe -fn ZF -size 2048 \
| nmrPipe -fn FT -verb \
| nmrPipe -fn PS -p0 270.0 -p1 0.0 -di \
| nmrPipe -fn EXT -y1 -1.25ppm -yn 117.66ppm -sw \
| nmrPipe -fn POLY -ord 2 -auto \
| nmrPipe -fn TP \
| nmrPipe -fn POLY -ord 2 -auto \
-out B.DAT -ov -verb

The original email is:

Hi Everyone;

I've run into something I haven't encountered before: I ran a gHSQCAD and a gHMBCAD
on our Inova 500, and when I process them with nmrPipe and display the spectra with
nmrDraw the 13C axis is labeled "ppm" but the center is 0 and the the total width is
equal to sw1. If I switch (under Draw --> 2D Settings --> Y-Axis Units) from ppm to Hz
only the label changes; if I switch to Pts the correct number of points are displayed.
A friend suggested that in my nmrPipe processing script after the final phasing line
I insert:

| nmrPipe –fn EXT –y1 –1.25ppm –yn 117.66ppm –SW \

but that didn't do anything. Any suggestions?

Thanks!
Karl Koshlap
Received on Wed Feb 10 2016 - 11:35:17 MST

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