Showing 7 of total 7 results (show query)
bioc
rawDiag:Brings Orbitrap Mass Spectrometry Data to Life; Fast and Colorful
Optimizing methods for liquid chromatography coupled to mass spectrometry (LC-MS) poses a nontrivial challenge. The rawDiag package facilitates rational method optimization by generating MS operator-tailored diagnostic plots of scan-level metadata. The package is designed for use on the R shell or as a Shiny application on the Orbitrap instrument PC.
Maintained by Christian Panse. Last updated 4 months ago.
massspectrometryproteomicsmetabolomicsinfrastructuresoftwareshinyappsfastmass-spectrometrymultiplatformorbitrapvisualization
18.3 match 36 stars 6.71 score 18 scriptsbioc
rawrr:Direct Access to Orbitrap Data and Beyond
This package wraps the functionality of the Thermo Fisher Scientic RawFileReader .NET 8.0 assembly. Within the R environment, spectra and chromatograms are represented by S3 objects. The package provides basic functions to download and install the required third-party libraries. The package is developed, tested, and used at the Functional Genomics Center Zurich, Switzerland.
Maintained by Christian Panse. Last updated 3 months ago.
massspectrometryproteomicsmetabolomicsinfrastructuresoftwarefastmass-spectrometrymultiplatformorbitrap-ms
14.5 match 56 stars 8.19 score 23 scripts 2 dependents
yonghuidong
RawHummus:Raw Data Quality Control Tool for LC-MS System
Assess LC–MS system performance by visualizing instrument log files and monitoring raw quality control samples within a project.
Maintained by Yonghui Dong. Last updated 2 years ago.
lcmsmetabolomicsorbitrapquality-control
11.0 match 4 stars 3.30 score 2 scripts
isoverse
isoorbi:Process Orbitrap Isotopocule Data
Read and process isotopocule data from an Orbitrap Isotope Solutions mass spectrometer. Citation: Kantnerova et al. (Nature Protocols, 2024).
Maintained by Caj Neubauer. Last updated 7 months ago.
3.7 match 4 stars 6.31 score 17 scripts
janlisec
InterpretMSSpectrum:Interpreting High Resolution Mass Spectra
High resolution mass spectrometry yields often large data sets of spectra from compounds which are not present in available libraries. These spectra need to be annotated and interpreted. 'InterpretMSSpectrum' provides a set of functions to perform such tasks for Electrospray-Ionization and Atmospheric-Pressure-Chemical-Ionization derived data in positive and negative ionization mode.
Maintained by Jan Lisec. Last updated 22 days ago.
4.5 match 2 stars 4.56 score 7 scripts 3 dependentsbioc
topdownr:Investigation of Fragmentation Conditions in Top-Down Proteomics
The topdownr package allows automatic and systemic investigation of fragment conditions. It creates Thermo Orbitrap Fusion Lumos method files to test hundreds of fragmentation conditions. Additionally it provides functions to analyse and process the generated MS data and determine the best conditions to maximise overall fragment coverage.
Maintained by Sebastian Gibb. Last updated 5 months ago.
immunooncologyinfrastructureproteomicsmassspectrometrycoveragemass-spectrometrytopdown
2.2 match 1 stars 5.08 score
rickhelmus
KPIC:Mass Spectrometry-Based Metabolomics Using Pure Ion Chromatograms
KPIC2 is an effective platform for LC-MS based metabolomics using pure ion chromatograms, which is developed for metabolomics studies. KPIC2 can detect pure ions accurately, align PICs across samples, group PICs to annotate isotope and adduct PICs, fill missing peaks and pattern recognition. High-resolution mass spectrometers like TOF and Orbitrap are more suitable.
Maintained by Hongchao Ji. Last updated 2 years ago.
0.5 match 1.70 score 3 scripts