Updated rangeReader for new APSuite "empty line" special
Added local background options for overlap solving which you can configure
Correction in ions2ranges to use the range windows provided by peakHeights
Better support for custom isotope definitions, specifically for overlap solving
rangeReaderIons now reads colours if lower case
Amended help text, abundanceTable is returned in the overlap problem struct
Corrected check for named ions in overlap solver.
- overlapProblem_getRangeCounts accepts parameters for local background
Added abundanceStyle to massSpectrumPlotter
AtomProbeLab v0.2.4
Some minor fixes and (possible) improvement of the label plotting on mass spectra
Fix posNoise logical indexing error
FAQ
Home
Merge
Merge changes back in
* Add ion formula feature to range reading/writing
* Fix rrng read without volumes will now have empty rangeVolumes
* Fix range file unit tests
Restore example range file AB.rng
Fix naming of goodness-of-fit objects
AtomProbeLab v0.2.3
Added: goodness-of-fit calculation to overlap solving (to be used in future)
Version 0.2.2
AtomProbeLab v0.2.2
TODO list
Tests: updated 'tests' folder and added a "run all" script
massSpectrumPlotter: Can set minimum m/z value and plot in linear counts scale
atomic2weight and weight2atomic conversions now accept compounds
MLE confidence bug fixed, issue occured when some samples could not be solved
AtomProbeLab v0.2.1
Merge with dev
AtomProbeLab v0.2.0
Added: elemental composition simulated by massSpecSimulator
Error message for save pos function
update ionFitTester help text
ionFitTester: uses effect size rather than Chi-squared as this seems more useful
Background variance (maybe) working, needs testing
Prevent noiseFit2 from retruning negative results
overlapProblem_getRangedCounts now only uses noiseFit2, much faster but does
Added fast noise fitting function (noiseFit2)
Experimental background sampling
Merge
Minor change to posNoise that changes how the noise trace is displayed but not
weight2atomicTable: fixed error in error carry forward
Merge
Fixed bug in overlap solver when using exclude list
Added exclude list for overlap solving (massOverlapSolver) allowing certain
Merge
ionFitTester script: added AIC probablity to the results
Fixed: (sometimes) too large step size in numerical MLE solver
Added clusterSettingsNumeric
mle_solver: added some error checking to handle fails better
Added: src path to missing demo script
Added: ionFitTester for accessing the fit of different combintations of ions
Updated error message of mle_solver to work with Matlab 2018
Added help text to ion2ranges
Detailed function explanations
pos
Detailed function explanations
Detailed function explanations
Detailed function explanations
averagedCompLineProfiles_script
averagedCompLineProfiles_script
averagedCompLineProfiles_script
FAQ
FAQ
FAQ
FAQ
FAQ
FAQ
FAQ
Changed mle_solver3_cdf to also use fmincon (same as mle_solver3 in the mass
Updates for averaged composition line profiles script, still needs work to
More fully featured averageCompLineProfile script in src/cluster
Improved band placement in massSpectrumPlotter
Fix: aptPeakrnd error checking error corrected
Merge
Version 0.1.4
AtomProbeLab v0.1.4
Fix: for massOverlapSolver so that the residual composition is not returned as
Reduced the chance plot labels will overlap in massSpectrumPlotter
Changed the behaviour of the mass-spec plotter so that it renders bands with
Need to fix massOverlapSolver and added massSpec plotter band (WIP)
Corrected Xe(126) entry in isotopes table
Updates to the number of fitted counts in peak overlap solver, work in progress
Added options for Poisson or Multinominal bootstraping of the confidence
Added: tests/test_overlapSolving with random peak data
Merge
Small interim fix to reduce the chance of the composition value returned being
Added option to toggle background subraction in getRangeCounts
Minor improvements for demoScript comments
Added demoScript showing how to make a peak-overlap solved composition line
Merge
bug: peakHeights fixed
Merge
bug fix: massOverlapSolver; fix warning message construct about empty ranges
Fix for previous commit which had an error in overlapProblemBuilder
Better error message for peakHeights2rangeHeights when an ion has no peaks
LocalDecomp_atom: removed debugging code and fixed it to use range counts