#!/bin/csh # # This file uses the python script get_jnh.py to determine JNH (or JNH+DNH) # values from the ratios contained in axt.tab. It also creates a # correlation data file (correlate.dat) for the reference GB3 scalar # couplings. # # T is d21 (in ms), n is the noise rms. from nmrDraw (from the menu click on: Draw/Estimate Noise) # the -i option will ignore unassigned peaks (ASS=None) #./get_jnh.py -T 10.775 -n 433141 -i axt.tab > jnh.dat ./get_jnh.py -T 10.8 -n 255371 -i axt.tab > jnh.dat #paste jnh.dat gb3_refJNH.dat | awk '{print $2, $6, $3, $4}' > correlate.dat