gbouvignies / ChemEx

ChemEx is an analysis program for chemical exchange detected by NMR.

Home Page:https://gbouvignies.github.io/ChemEx/

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A072N-HN vs A72N in parameters.fit

bradleyharden opened this issue · comments

I saw that this issue came up previously when defining parameters within ChemEx. In my parameters.fit file, all of the I0 values are output with the "resonance_id" type label (A072N-HN) whereas the other values are "nucleus_name" type (A72N). I don't see any obvious purpose for this distinction in n_iph_cest type experiments. Is this a bug or a feature? In either case, it still doesn't seem to make much sense to retain the leading zero in one case if it isn't retained elsewhere.

This has been solved in 8e7bc33.