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MetaSys-LISBP / IsoCor

IsoCor: Isotope Correction for mass spectrometry labeling experiments
https://isocor.readthedocs.io
GNU General Public License v3.0
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Question isotopic cluster #21

Open jabnremtp opened 3 years ago

jabnremtp commented 3 years ago

What does it mean when an error is received stating the following

The length of the measured isotopic cluster (4) is different than the required number of measurements: 20 (i.e. N + 1, where N is the number of atoms that could be traced)

bdelepine commented 3 years ago

Hi @jabnremtp!

The error states that the provided data is not sufficient to perform the correction.

This seems to be expected in your case: indeed, it seems that 4 measurements were provided (which, I guess, are the area of peaks M0, M1, M2, and M3) whereas IsoCor expects 20 peak measurements for this chemical given its number of tracer element (M0, M1, M2, ..., M19). If you didn't see any peak for M4, M5, ..., M19, you should assume that the measure is 0 and put it in IsoCor inputs. I invite you to browse through the FAQ for more information on that subject.

If you believe IsoCor should not be asking you for more data (eg. if your chemical does have less than 19 tracer elements) I would be happy to review the log file.

Does that answers your question? 😃