All releases of massXpert mass spectrometry package
Release Notes: It is now possible to account for cross-links when simulating oligomer fragmentations. Only cross-links that involve monomers all contained in the fragmenting oligomer are taken into account. Updates to the user manual.
Release Notes: The XpertMiner module was improved to make working with lists easier. A calculation bug was fixed in the isotopic cluster calculation code. A full spectrum simulation feature was added to 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. The user manual was updated.
Release Notes: A thorough rewrite of the XpertMiner module with many new features and improvements/fixes.
Release Notes: This release switched the whole XpertMiner module to the TableView data display method. This allows for easier code maintenance and for a clearer graphical user interface. Code in the MzLabInputOligomerTreeView class has been refactored to improve quality and readability. The XpertMiner window layout has more clarity. A feature has been added to call a calculator window right from the sequence editor window with either whole or selected sequence masses pre-seeded.
Release Notes: This release has changed the mass search oligomer display from a tree view to a table view, which is simpler both programmatically and functionally (for the user). This fixes a bug that would occasionally crash the software upon arbitrary mass searches.
Release Notes: The fragmentation oligomer display has been changed from a tree view to a table view which is simpler, both programmatically and functionally (for the user). The ability to stack in the same table view fragmentation oligomers that come from different fragmentation simulations has been added.
Release Notes: Improvement of 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.
Release Notes: 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.
Release Notes: This release 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).
Release Notes: This release adds the ability to select -H20 and -NH3 (and also to set a manually-defined formula) as additional decompositions to be handled while computing fragment oligomers.
