ImsInformed Library
ImsInformed is a .NET class library that provides target identification workflows for peptides and metabolites alike in IMS experiment runs.
Monroe, Matthew↗
Engineering topics
Wilkins, Christopher
Publications and source records attributed to Wilkins, Christopher.
Informed Proteomics
The Informed Proteomics project includes algorithms for proteomic mass spectrometry data analysis. Although the back-end data access and some of the scoring routines are general purpose, this repository is currently maintained for top down MS/MS datasets.
Fujimoto, Grant↗
LCMS-Spectator
LCMS raw data and MSGF+ results viewer. LcmsSpectator is a standalone Windows graphical user interface tool for viewing LC-MS data and identifications.
Degan, Michael↗
LIQUID
LIQUID is a software tool for identifying lipids in LC-MS/MS-based lipidomics data. It is described in publication LIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data (doi: 10.1093/bioinformatics/btx046). LIQUID provides users with the capability to process high throughput data and contains a customizable target library and scoring model per project needs. The graphical user interface provides visualization of multiple lines of spectral evidence for each lipid identification, allowing rapid examination of data for making confident identifications of lipid molecular species.
Payne, Sam↗
MS File Info Scanner
The MS File Info Scanner can be used to scan a series of MS data files (or data folders) and extract the acquisition start and end times, number of spectra, and the total size of the data. In addition, it can create 2D-plot graphics of the m/z values vs. time for QA purposes.
Wilkins, Christopher↗
MultiAlign
Aligns multiple LC-MS datasets to one another after which LC-MS features can be matched to a database of peptides (typically an AMT tag database)
Crowell, Kevin↗
Multidimensional Peak Finding
Finds 3D XIC features across LC, m/z, and drift time dimensions
Ma, Jian↗
PNNL Biodiversity Library Plugin
The PNNL Biodiversity Plugin is a software tool for Skyline and is designed to allow pathway-centric browsing of peptides previously identified by LC-MS/MS. The plugin is designed to assist in SRM assay design or DIA data analysis. Users select an organism and biological pathway of interest, then the plugin shows information about the associated peptides.
Wilkins, Christopher↗
PNNL OMICS
The PNNL Omics Library (PNNLOmics.dll) is a collection of data analysis, file I/O, and visualization routines used by several of the omics-related software developed at PNNL.
Degan, Michael↗