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v0.1.3

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@chemplexity chemplexity released this 27 Feb 09:40
· 29 commits to master since this release
v0.1.3
2816436

Overview

Huge improvements in performance and numerous bug fixes. New methods for parallel computing and importing/exporting data.

Parallel Computing

  • Compute baselines and smooth raw data in parallel. Performance gains scales with amount of data being processed. Requires the Parallel Computing Toolbox from MATLAB.

Import

  • New method for importing '.mzXML' files. Currently limited to file information and total ion chromatograms.
  • Importing raw data now much faster for Agilent (.D), Thermo (.RAW), and netCDF files (.CDF).
  • Added more support for Thermo '.RAW' files (i.e. more instrument models, MS/MS data).

Export

  • New method added for exporting data as '.CSV' files.

Visualization

  • Significant improvements in ion labeling of mass spectra and more customization options for generating mass spectra.
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