We have also implemented chromatography peak picking and integration functionality to support NetCDF and ASCII files. We have implemented system suitability calculations (width, resolution, number of theoretical plates, tailing factor, and signal-to-noise). You can also now auto detect reference peaks in CCSDįor data preparation within the chemometrics module, we have implemented Probabilistic Quotient Normalization (PQN) and we are now able to provide an optional visualization of normalization results. With the PROFILE analysis tool, you can now export fingerprint spectra and synchronize plot crosshairs More options to calculate distances in the Scores plot.Improved selection and interactivity in the Scores and Loading plots.We have enhanced the PCA analysis tool with new features, such as: Additional plots, Influence plots (for each class), and Cooman's plots (for each pair of classes) can be also obtained. The SIMCA panel shows the resulting Model Table. We’ve now implemented a soft independent modelling by class analogy ( SIMCA) Model Classification, which is a statistical method for supervised classification of data.Ī cross-validation is first run (the same settings as in the PCA analysis are available). A “Summary” section has been included, outlining the core info determined from the Binding Analysis.The functionality “Select peaks” has been improved with new options for a more effective outliers’ removal from the average K D.
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