An evolving computational platform for biological mass spectrometry: workflows, statistics and data mining with MASSyPup64.

ABSTRACT: In biological mass spectrometry, crude instrumental data need to be converted into meaningful theoretical models. Several data processing and data evaluation steps are required to come to the final results. These operations are often difficult to reproduce, because of too specific computing platforms. This effect, known as 'workflow decay', can be diminished by using a standardized informatic infrastructure. Thus, we compiled an integrated platform, which contains ready-to-use tools and workflows for mass spectrometry data analysis. Apart from general unit operations, such as peak picking and identification of proteins and metabolites, we put a strong emphasis on the statistical validation of results and Data Mining. MASSyPup64 includes e.g., the OpenMS/TOPPAS framework, the Trans-Proteomi

SUBMITTER: Winkler R 

PROVIDER: S-EPMC4655102 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature