#!/bin/csh # # This file uses the assignments in test.ass.tab to determine the peak # intensities in the reference spectrum. The output is axt.tab, which # is generated using seriesTab, and which contains an additional column # Z_A1 containing the intensity ratio of the second and first spectra. # # seriesTab does not allow the peak to shift, but it does perform a # basic Fourier fitting to interpolate intensities between the digitized # spectral coordinates. # # Note that without the -nofit argument, autoFit would also attempt to # perform a full spectrum fit, which would extract linewidths and heights # for each peak. This is not optimal here, because in unfavorable # situations the height that is fit may not accurately represent the # height of the spectrum, especially when overlap occurs. # autoFit.tcl -series -dX 0.0 -dY 0.0 -inTab pf1_pb \ -specName ft/test%03d.ft2 -nofit