A tiny parser to extract mass spectra data and metadata table of mass spectrometry acquisition properties from mzML, mzXML and netCDF files introduced in <doi:10.1021/acs.jproteome.2c00120>.

A pipeline to process nominal mass spectrometry data to create .msp files for untargeted analyses.

A simplified version of the 'IDSL.UFA' package to calculate isotopic profiles and adduct formulas from molecular formulas with no dependency on other R packages for online tools and educational mass spectrometry courses. The 'IDSL.SUFA' package also provides an ancillary module to process user-defined adduct formulas.

A pipeline to annotate chromatography peaks from the 'IDSL.IPA' workflow <doi:10.1021/acs.jproteome.2c00120> with molecular formulas of a prioritized chemical space using an isotopic profile matching approach. The 'IDSL.UFA' workflow only requires mass spectrometry level 1 (MS1) data for formula annotation. The 'IDSL.UFA' methods was described in <doi:10.1021/acs.analchem.2c00563> .

A pipeline to annotate a number of peaks from the 'IDSL.IPA' peaklists using an exhaustive chemical enumeration-based approach. This package can perform elemental composition calculations using the following 15 elements : C, B, Br, Cl, K, S, Si, N, H, As, F, I, Na, O, and P.

Implements various novel and standard clustering statistics and
  other analyses useful for understanding the spread of infectious disease.

Convert files to and from IDX format to vectors, matrices and arrays.
    IDX is a very simple file format designed for storing vectors and multidimensional matrices in
    binary format. The format is described on the website from Yann LeCun
    <http://yann.lecun.com/exdb/mnist/>.

A collection of Irucka Embry's miscellaneous USGS functions
    (processing .exp and .psf files, statistical error functions,
    "+" dyadic operator for use with NA, creating ADAPS and QW
    spreadsheet files, calculating saturated enthalpy). Irucka created these
    functions while a Cherokee Nation Technology Solutions (CNTS) United States
    Geological Survey (USGS) Contractor and/or USGS employee.