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Hi,
we should test the reading and peak picking functions some time in the future how well it handles peculiarities in IMS data.
An addendum to the mzML spec says:
There was some concern that in the original mzML 1.1 format there should never be two
identical m/z values in an “m/z array”. But this was not explicitly stipulated in the mzML 1.1
specification, and with the addition of ion mobility arrays, repetition in the “m/z array” will be
common (having differing ion mobility array values). This means that all mzML parsers SHOULD
be checked/updated to handle mzML data with non-increasing (identical or decreasing) m/z values
in the "m/z array". All parsers SHOULD also be updated to warn or halt gracefully if they are not prepared
to handle the kinds of data described herein.
This has time until a suitable collection of example mzMLs are available,
but I wanted to note this somewhere for reference.
Yours, Steffen