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Fifth Release of MFAssignR (Version 1.0.1)
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@skschum skschum released this 14 Aug 13:36
· 37 commits to master since this release
v1.0.1
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This announcement regards the release of MFAssignR version 1.0.1, which works with R version >= 4.0.0.

This new version also adds new heteroatoms for assignment (79Br, 81Br, and 126I), and the ability to use 2 or 3 column data frames, allowing users to assign formulas to LC-MS data and keep the retention time connected to the mass and abundance.

There are also a variety of more "under-the-hood" changes that improve the functionality of many of the functions in the package and are described in more detail in "Package Updates".

Additionally, this release archives MFAssignR 1.0.0, which is directly related to the version described in the publication:
Schum SK, LE Brown, LR Mazzoleni, MFAssignR: Molecular Formula Assignment Software for Ultrahigh Resolution Mass Spectrometry Analysis of Environmental Complex Mixtures, Revised and Re-Submitted, Environmental Research, 2020.

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