The hardware and bandwidth for this mirror is donated by METANET, the Webhosting and Full Service-Cloud Provider.
If you wish to report a bug, or if you are interested in having us mirror your free-software or open-source project, please feel free to contact us at mirror[@]metanet.ch.
A glycolipid mass spectrometry technology has the potential to accurately identify individual bacterial species from polymicrobial samples. To develop bacterial identification algorithms (e.g. machine learning) using this glycolipid technology, it is necessary to generate a large number of various in-silico polymicrobial mass spectra that are similar to real mass spectra. 'MGMS2' (Membrane Glycolipid Mass Spectrum Simulator) generates such in-silico mass spectra, considering errors in m/z (mass-to-charge ratio) and variances of intensity values, occasions of missing signature ions, and noise peaks. It estimates summary statistics of monomicrobial mass spectra for each strain or species and simulates polymicrobial glycolipid mass spectra using the summary statistics of monomicrobial mass spectra. References: Ryu, S.Y., Wendt, G.A., Chandler, C.E., Ernst, R.K. and Goodlett, D.R. (2019) <doi:10.1021/acs.analchem.9b03340> "Model-based Spectral Library Approach for Bacterial Identification via Membrane Glycolipids." Gibb, S. and Strimmer, K. (2012) <doi:10.1093/bioinformatics/bts447> "MALDIquant: a versatile R package for the analysis of mass spectrometry data."
Version: | 1.0.2 |
Depends: | MALDIquant, MALDIquantForeign |
Suggests: | testthat |
Published: | 2020-04-24 |
DOI: | 10.32614/CRAN.package.MGMS2 |
Author: | So Young Ryu |
Maintainer: | George Wendt <gwendt at unr.edu> |
License: | GPL-3 |
NeedsCompilation: | no |
Materials: | README |
CRAN checks: | MGMS2 results |
Reference manual: | MGMS2.pdf |
Package source: | MGMS2_1.0.2.tar.gz |
Windows binaries: | r-devel: MGMS2_1.0.2.zip, r-release: MGMS2_1.0.2.zip, r-oldrel: MGMS2_1.0.2.zip |
macOS binaries: | r-release (arm64): MGMS2_1.0.2.tgz, r-oldrel (arm64): MGMS2_1.0.2.tgz, r-release (x86_64): MGMS2_1.0.2.tgz, r-oldrel (x86_64): MGMS2_1.0.2.tgz |
Old sources: | MGMS2 archive |
Please use the canonical form https://CRAN.R-project.org/package=MGMS2 to link to this page.
These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.