Spectra
Spectra copied to clipboard
filterPrecursorMz with multiple precursor m/z values
At present filterPrecursorMz
expects a range of m/z values and keeps all spectra with a precursor m/z within that range. I'm wondering if it would not also be nice to have the possibility to filter spectra matching any of provided precursor m/z (see also on https://github.com/rformassspectrometry/SpectraQL/issues/1). So, what I would suggest is the following:
- new
filterPrecursorMzRange
method (that symlinks at present to thefilterPrecursorMz
function) which accepts anumeric(2)
with lower and upper m/z range. - new
filterPrecursorMzValue
method that has parametersmz
,ppm
andtolerance
and keeps all spectra that match any of themz
(givenppm
andtolerance
).
This is somewhat similar to the filterMzRange
and filterMzValue
methods we have already implemented. Any thoughts on that @sgibb and @lgatto ?