https://matteolacki.r-universe.devRecent package updates in matteolackiR-universehttps://github.com/matteolacki.pnghttps://matteolacki.r-universe.devThu, 22 Oct 2026 10:00:08 GMTmatteo.lacki@gmail.com (Mateusz Krzysztof Łącki)Reads raw data from Bruker's timsTOF mass spectrometers, stored in analysis.tdf and analysis.tdf_bin files inside .d folders. Frames can be selected by number or by retention time, and each peak is reported with its scan, time-of-flight index, intensity, mass-to-charge ratio and inverse ion mobility. Mass-to-charge ratios and ion mobilities are computed with built-in open-source calibration, or optionally with Bruker's proprietary library. See Łącki et al. (2021) <doi:10.1021/acs.jproteome.0c00962>.https://github.com/r-universe/matteolacki/actions/runs/39970946445Thu, 22 Oct 2026 10:00:08 GMTopentimsr1.2.0successhttps://matteolacki.r-universe.devhttps://github.com/cran/opentimsrmatteo.lacki@gmail.com (Mateusz Krzysztof Łącki)IsoSpec is a fine structure calculator used for obtaining the most probable masses of a chemical compound given the frequencies of the composing isotopes and their masses. It finds the smallest set of isotopologues with a given probability. The probability is assumed to be that of the product of multinomial distributions, each corresponding to one particular element and parametrized by the frequencies of finding these elements in nature. These numbers are supplied by IUPAC - the International Union of Pure and Applied Chemistry. See: Lacki, Valkenborg, Startek (2020) <DOI:10.1021/acs.analchem.0c00959> and Lacki, Startek, Valkenborg, Gambin (2017) <DOI:10.1021/acs.analchem.6b01459> for the description of the algorithms used.https://github.com/r-universe/matteolacki/actions/runs/37752922969Fri, 12 Dec 2025 09:10:27 GMTIsoSpecR2.3.3successhttps://matteolacki.r-universe.devhttps://github.com/cran/IsoSpecR