Follow-up Comment #1, sr #3210 (project relax):
Could you confirm that this is similar to the currently generated
'intensities.agr' file, except that the plotted curve is that of the fitted
curve?
This is complicated as the grace.write infrastructure does not currently
support this. From the attached plot, this consists of two data plots - a
graph of the measured values and a graph of the intepolated values
back-calculated from the fitted parameters. The main issue is that the
'intensities.agr' file contains one graph per spin. Can you see how you would
generate these plots in Grace?
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