Thanks Tim for your clarifications and thanks Horst for chiming in!
Glad to see I'm not the only one who's confused with this feature.
I have managed to get it to work - more or less - but I still have
several questions. Here are some of them, there may be more yet.
1. First and foremost, can I MANUALLY follow a peak? (eg "propagate"
an assignment across the shiftlists?) I get a reasonable grouping
with the Ax + B fit function but I can't get it to group all the
assigned peaks in my pH titration. Can I manually add them?
2. The dialog asks for a reference peak list.
Does the corresponding experiment have to be a part of the series
or can it (or MUST it) be separate?
3. Do I need to specify values in the experimental series to follow peaks?
For example in my pH titration, does Analysis actually use the pH values
and uncertainty specified or are they only there as labels?
4. I think I figured out what some of the options in the dialog mean,
but what about "Bootstrap errors" and "Min/Max Grad."?
5. I guess the step size in the isotope parameters specifies the maximum
shift variation between two adjacent spectra in the series, correct?
But then, I'm surprised that peaks which do not vary much at all
are usually NOT "found" (grouped). Is there a minimum variation to
be specified somewhere?
6. Selecting "show fit graph" of a peak group that is not found
in all spectra of the series causes analysis to lock up without warning.
Thanks,
Martin
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