Activity for A London
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A London committed [0d7826] on Mercurial
Updated rangeReader for new APSuite "empty line" special
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Added local background options for overlap solving which you can configure
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Correction in ions2ranges to use the range windows provided by peakHeights
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Better support for custom isotope definitions, specifically for overlap solving
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rangeReaderIons now reads colours if lower case
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Amended help text, abundanceTable is returned in the overlap problem struct
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Corrected check for named ions in overlap solver.
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- overlapProblem_getRangeCounts accepts parameters for local background
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Added abundanceStyle to massSpectrumPlotter
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AtomProbeLab v0.2.4
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Some minor fixes and (possible) improvement of the label plotting on mass spectra
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Fix posNoise logical indexing error
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FAQ
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Home
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Merge
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Merge changes back in
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* Add ion formula feature to range reading/writing
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* Fix rrng read without volumes will now have empty rangeVolumes
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* Fix range file unit tests
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Restore example range file AB.rng
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Fix naming of goodness-of-fit objects
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AtomProbeLab v0.2.3
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Added: goodness-of-fit calculation to overlap solving (to be used in future)
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Version 0.2.2
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AtomProbeLab v0.2.2
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TODO list
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Tests: updated 'tests' folder and added a "run all" script
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massSpectrumPlotter: Can set minimum m/z value and plot in linear counts scale
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atomic2weight and weight2atomic conversions now accept compounds
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MLE confidence bug fixed, issue occured when some samples could not be solved
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AtomProbeLab v0.2.1
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Merge with dev
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AtomProbeLab v0.2.0
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Added: elemental composition simulated by massSpecSimulator
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Error message for save pos function
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update ionFitTester help text
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ionFitTester: uses effect size rather than Chi-squared as this seems more useful
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Background variance (maybe) working, needs testing
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Prevent noiseFit2 from retruning negative results
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overlapProblem_getRangedCounts now only uses noiseFit2, much faster but does
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Added fast noise fitting function (noiseFit2)
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Experimental background sampling
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Merge
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Minor change to posNoise that changes how the noise trace is displayed but not
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weight2atomicTable: fixed error in error carry forward
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Merge
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Fixed bug in overlap solver when using exclude list
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Added exclude list for overlap solving (massOverlapSolver) allowing certain
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Merge
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ionFitTester script: added AIC probablity to the results
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Fixed: (sometimes) too large step size in numerical MLE solver
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Added clusterSettingsNumeric
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mle_solver: added some error checking to handle fails better
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Added: src path to missing demo script
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Added: ionFitTester for accessing the fit of different combintations of ions
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Updated error message of mle_solver to work with Matlab 2018
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Added help text to ion2ranges
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Detailed function explanations
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pos
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Detailed function explanations
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Detailed function explanations
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Detailed function explanations
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averagedCompLineProfiles_script
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averagedCompLineProfiles_script
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averagedCompLineProfiles_script
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FAQ
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FAQ
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FAQ
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FAQ
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FAQ
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FAQ
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FAQ
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Changed mle_solver3_cdf to also use fmincon (same as mle_solver3 in the mass
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Updates for averaged composition line profiles script, still needs work to
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More fully featured averageCompLineProfile script in src/cluster
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Improved band placement in massSpectrumPlotter
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Fix: aptPeakrnd error checking error corrected
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Merge
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Version 0.1.4
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AtomProbeLab v0.1.4
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Fix: for massOverlapSolver so that the residual composition is not returned as
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Reduced the chance plot labels will overlap in massSpectrumPlotter
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Changed the behaviour of the mass-spec plotter so that it renders bands with
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Need to fix massOverlapSolver and added massSpec plotter band (WIP)
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Corrected Xe(126) entry in isotopes table
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Updates to the number of fitted counts in peak overlap solver, work in progress
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Added options for Poisson or Multinominal bootstraping of the confidence
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Added: tests/test_overlapSolving with random peak data
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Merge
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Small interim fix to reduce the chance of the composition value returned being
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Added option to toggle background subraction in getRangeCounts
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Minor improvements for demoScript comments
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Added demoScript showing how to make a peak-overlap solved composition line
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Merge
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bug: peakHeights fixed
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Merge
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bug fix: massOverlapSolver; fix warning message construct about empty ranges
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Fix for previous commit which had an error in overlapProblemBuilder
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Better error message for peakHeights2rangeHeights when an ion has no peaks
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LocalDecomp_atom: removed debugging code and fixed it to use range counts
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