Fast and very memory-efficient calculation of isotope patterns, subsequent convolution to theoretical envelopes (profiles) plus valley detection and centroidization or intensoid calculation. Batch processing, resolution interpolation, wrapper, adduct calculations and molecular formula parsing.
|Author||Martin Loos, Christian Gerber|
|Date of publication||2016-10-02 16:08:03|
|Maintainer||Martin Loos <[email protected]>|
|Package repository||View on CRAN|
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