Description Usage Arguments Details Value Author(s)
Reads a set of files containing enviPick results, and fills an enviMass profile container with the data. Does not compute the actual profiles; this can be done with computeProfiles.
1 2 |
dataDir |
Folder containing the enviPick files in .MSlist format. May be either MSlist.pos and MSlist.neg files, or files with an arbitrary pattern.
Typically, filenames should correspond to the names built by batchPick or comprehensiveBatchPick, respectively:
* If only MS1 data was peak-picked (batchPick), raw file |
files |
The filenames of the raw files, with or without full path. NOT the filenames or path of the enviPick results. |
polarity |
If |
pattern |
The file pattern to search for (i.e. what is appended to the raw file name).
If a raw file |
rtrange |
Optional RT range of peaks to extract. Use this to cut off e.g. the column dead volume. |
Code is copied and adapted from enviMass.
A profile container in enviMass format (for no pattern
or a single pattern
, or a list of containers named after the
corresponding pattern/scan.
stravsmi, mostly copied from Martin Loos
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