Spcal version 2.0

[djdt]

A complete remake of SPCal to enable opening of multiple files concurrently and per-mass compound Poisson thresholding. The following features have been added.

• Redesign of the GUI into a series of docks
• Multiple files can be opened simultaneously
• TOF isotopes can be selected without needing to re-import files
• TOF results are shown in table
• Calculation of per-mass SIA from ionic data
• Peak mass spectra viewer
• Scatter plots for arbitrary peak data (i.e., ratios, sizes, sums)
• Improved multi-threading
• Improved batch processor (no longer need to load an example file).
• Improved ionic response calculator

Some changes have been made that require changes to current processing routines.

• The reference and sample tab are removed, transport efficiencies are now calculated via a calculator
• Old sessions will not be compatible with the new version.
• The exported result format has changed slightly
• Sessions no longer store all data, only a reference to the file path
• The default Poisson method is now the Currie method
• The lognormal-approximation and simulation methods for compound Poisson have been removed.

Known missing features

• Image exports of views are not yet implemented
• Image exports using the batch processors are not yet implemented