looscomputing developes and maintains the below software packages. All packages can be run directly from the freely available R statistical computing environment, either after download from R CRAN repositories or following an installation from their GitHub repositories.
the Rhine monitoring station Basel (CH, Kantonales Umweltlabor Basel Stadt / Amt für Umwelt und Energie).
pattern.search2(). Based on a large set of unique PubChem molecular formulas, quantized (a) m/z, (b) m/z differences, (c) intensity ratios and (d) marker centroids of simulated centroid pairs are listed for one instrument resolution function. Package version 1.1 was contributed 2014 to the CRAN repository while working at Eawag Dübendorf; further instrument-specific data sets are available on demand.