New in version 3.1.0
August 30th, 2011
- Improvements in the XpertMiner module that make working with lists easier;
- Fixed calculation bug which appeared when computing the isotopic cluster of a large polymer with low resolution... the peak shape would not be centered in the average centroid value.
- Added a full spectrum simulation feature that allows one to compute a spectrum (optionally with all the isotopic clusters) on the basis of a list of oligomers obtained by cleavage of a given polymer;
- Same as above but after computing a set of m/z ratios starting from a chemical formula;
- Updated the user manual to document a number of new features since last update.
New in version 3.0.0 (July 25th, 2011)
- Thorough rewrite of the XpertMiner module with a load of new features and a great many improvements/fixes.
New in version 2.9.0 (July 19th, 2011)
- Switched to the TableView data display method the whole XpertMiner module. This allows for easier code maintaining and for clearer graphical user interface.
- Refactored code in the MzLabInputOligomerTreeView class code to improve quality and readability.
- Improved the XpertMiner window layout for more clarity.
- Added feature to call a calculator window right from the sequence editor window with either whole/selected sequence masses preseeded.
New in version 2.8.0 (July 12th, 2011)
- Changed the mass search oligomer display from a tree view to a table view which is simpler, both programmatically and functionally (for the user). That fixes a bug that would occasionally crash the software.
New in version 2.7.0 (July 6th, 2011)
- Changed the fragmentation oligomer display from a tree view to a table view which is simpler, both programmatically and functionally (for the user);
- Added the possibility to stack in the same table view fragmentation oligomers that come from different fragmentation simulations.
New in version 2.6.0 (June 30th, 2011)
- I finally finished handsomely improving (by a full rewrite) the isotopic cluster prediction for any chemical formula in the massXpert software. The program now runs eight times as fast as the previous version. Further, the simulations can now be performed either using the gaussian calculation or the lorentzian simulation.
New in version 2.5.2 (June 6th, 2011)
- A critical fix was made to a regression bug introduced in version 2.5.1.
- The program crashed upon fragmentation of any oligomer in any condition.
New in version 2.5.1 (June 6th, 2011)
- This version fixes a serious bug that seems to have appeared while upgrading the Qt library version.
- That bug would make the program crash when computing cleavage oligomers in "stacking oligomers" mode.
- It improves the way cleavage and mass calculation options are provided as feedback when selecting oligomers in the list of oligomers.
- It changes the cleavage oligomer display from a tree view to a table view, which is simpler both programmatically and functionally (for the user).
New in version 2.4.3 (February 21st, 2011)
- Added feature: when running the mz calculations dialog from the sequence editor window, the masses are automatically set in the dialog window.
- Added ion charge proton to the formula of the z fragmentation specification.
- Rewrote the Formula's elementalComposition() so that the order of the atoms is in the CHNO->alphabetic conventional order.