Automated Comparative Analysis of Metabolite Profiling Data
Chrompare is a software for analysis of chromatographic data. It allows automated univariate peak-by-peak comparison of complex chromatograms. This can be performed either peak-based using peak heights/areas and corresponding retention times or response-based on the basis of detector responses and corresponding time points.
Chrompare provides tools for standardization of raw chromatographic data. This involves tools for automated and manual correction of retention time differences and for normalization of detector responses. Peak-based data can be standardized automatically and manually. For response-based data, a tool for manual standardization is provided. These tools lead to the generation of standardized datasets.
Chrompare includes a small database manager, which allows to catalogue the datasets and to build-up model databases. Single datasets as well as theoretical chromatographic data/theoretical chromatograms calculated from databases can be eventually used as comparators. Chrompare provides the tools to detect additional peaks and to identify differences between the comparators, which are reported in graphical and tabular form.
Features of Chrompare
- Database manager
- Import and standardization of raw chromatographic data
- Format of raw data files
- Automated standardization of peak-based data
- Manual standardization of chromatographic data
- Comparison of standardized datasets
- Comparison of two peak-based datasets
- Comparison of two response-based datasets
- Comparison of multiple datasets