File Support Improvements
- The software now provides experimental support for importing the new Shimadzu LabSolutions GCD files.
- Ion Peak Detection is now included in the main software.
- The ion peak extraction can now be done much faster and with less memory.
- Various major updates to the algorithm improve detection and noise analysis.
- Completely new AMDIS-style algorithm workflow including automated deconvolution.
- Output of the deconvolved spectrum with the Area object's Reference MS field.
- A new tool for comparing two chromagrams.
- Uses Match Markers for determining an alignment transform.
- Compound matching is performed on the two images based on the alignment transform.
- Various visualizations allow for an interactive analysis.
- Blob tables and a spectra view are available for reviewing compound matches.
- A new plugin in Investigator for quickly identifying Common and Unique Compounds.
- Works across many samples for either multi-sample classes or single-sample classes.
- Utilizes Retentions Times, SNR, and Percent Response; as well as Spectral attributes: Spectrum and Base Peak.
- Tool shows a bubble plot for visualizing the compounds as well as a table containing the compound data and statistics.
- The new Investigator ML is a plugin tool for supervised pattern recognition and classification.
- Supports supervised binary classification for two classes.