SpectrumLook Change Log Version 1.5, Build 37, October 16, 2009 - Recompiled version of CWSpectrumDll.dll Version 1.5, Build 36, August 10, 2009 - Now showing the parent ion m/z in the plot title - Added option to display the m/z values of the identified peaks in the fragmentation spectrum Version 1.5, Build 35; August 3, 2009 - Added ampersand mod symbol (&) - Now calling .AutoScaleY after adding annotations to the fragmentation spectrum - Necessary to allow user to read the annotation names for the most intense peaks in a spectrum - New versions of MZXmlFileReaderDLL.dll and MZDataFileReaderDLL.dll that fix an overflow bug when reading large .mzXML files Version 1.5, Build 34; May 21, 2009 - Added option for static mods to the N-terminus and K - Default mass for these static mods is iTRAQ (144.1021) Version 1.5, Build 32; February 26, 2009 - Added option to switch between CID mode (b/y ions) and ETD mode (c/z ions) - Used Edit->Match Settings->Fragmentation Mode Version 1.4, Build 31; March 10, 2008 - Updated version of MZXmlFileReaderDLL.dll - Now supports mzXML v3.x Version 1.4, Build 30; March 5, 2008 - Updated the GUI to allow the user to enter negative modification masses in the Settings window (Edit->Program and Mass Settings) Version 1.4, Build 29; February 4, 2008 - Fixed indexing bug that skipped the first mass value in each mass spectrum when looking for b or y ions matching theoretical masses Version 1.4, Build 28; December 20, 2007 - Added option for multiple losses from the b/y ions and from the parent peak - For example, water + water, water + ammonia Version 1.4, Build 27; December 13, 2007 - Now checking for loss of two water molecules from the parent peak -36.02 if 1+, -18.01 if 2+, and -12 if 3+ - Recompiled with latest version of Xcalibur that supports ETD datasets Version 1.4, Build 26; September 26, 2007 - Now checking for and removing double or single quotes if the protein name or peptide sequence is surrounded with quotes Version 1.4, Build 25; September 21, 2007 - Now displays Sp for Sequest data and Log_EValue for X!Tandem data Version 1.4, Build 24; September 20, 2007 - Fixed bug that mis-numbered the b and y ion labels when displaying modified peptides Version 1.4, Build 23; September 15, 2007 - Added support for X!Tandem _xt.txt files, which are created by the Peptide Hit Results Processor - Already have support for Sequest _syn.txt files Version 1.4, Build 22; June 28, 2007 - New version of CWSpectrumDll.dll Version 1.4, Build 21; May 8, 2007 - Added a phosphate neutral loss mass value for 1+ spectra: loss of (98+18) = 116 Version 1.4, Build 20; December 18, 2006 - Added one more phosphate neutral loss mass for 3+ spectra: loss of (98*2)/3 = 65.32 Version 1.4, Build 19; December 14, 2006 - Fixed bug that used the wrong mass for phosphate neutral loss from 2+ b/y ions - Added a minimum mass on the m/z values shown for 2+ b/y ions; the user can edit the mass using Edit->Program and Mass Settings - Fragment ladder improvements - Updated the scrollbar on the Fragment Ladder window to scroll in the standard Windows direction - Changed the fonts to use a darker green and to not print in italics - Now displaying the ion types at the left of the fragment ladder - Removed the "View" button since it was unused - Now searching for additional phosphate neutral loss mass values from the parent ion mass - All spectra: loss of 98 from the parent m/z - 2+ spectra: loss of 98/2 = 49 - 2+ spectra: loss of (98+18)/2 = 58 - 2+ spectra: loss of (98*2+18)/2 = 107 - 3+ spectra: loss of 98/3 = 32.66 - 3+ spectra: loss of (98*2)/3 = 65.32 (actually added in Build 20) - 3+ spectra: loss of (98+18)/3 = 38.66 - 3+ spectra: loss of (98*2+18)/3 = 71.32 - Rearranged the match settings and program settings - Reworded many of the descriptions to more clearly explain them - Added ability to show/hide various annotation types, e.g. a ions, water loss, ammonia loss, etc. - Created a separate window for searching "all spectra for Neutral Loss" Version 1.3, Build 18; November 16, 2006 - Decreased maximum number of data points displayed in the grid down to 40000 - The reason this maximum is there is that the DataGrid can only allocate a certain amount of memory, which appears to be enough for a little over 40000 rows Version 1.3, Build 17; November 15, 2006 - Increased maximum number of data points displayed in the grid to 60000 - Fixed bug that incorrectly labelled some of the black peaks in the mass spectrum Version 1.3, Build 16; October 24, 2006 - Now looking for a .ini file with the same base name as the .raw, .mzXML, or .mzData file when opening a datafile - If found, the settings from the .ini file are loaded, updating the settings in memory - If no .Ini file is found, then the user is informed that they may wish to customize the settings in the "Match Settings" or "Other Settings" dialog boxes Version 1.3, Build 15; October 24, 2006 - Now hiding the controls when reading the input files - Updated to warn the user that loading may take a few minutes if reading an .mzXML or .mzData file larger than 15 MB - Updated to print column headers to the text files created using the NeutralLoss menu item commands Version 1.3, Build 14; October 19, 2006 - Added support for two more modification symbols - Now supports *, #, @, and $ - Added option to save an annotated picture of every peptide ID in memory - Can save WMF files or .PNG files (similar to .GIF files) - Added Reset to Defaults buttons on the settings forms Version 1.3, Build 13; September 29, 2006 - Updated to the SP2 version of MSXML4.DLL Version 1.3, Build 12; September 28, 2006 - Added additional error handling messages when loading input data files - Useful for debugging instances where a given DLL is not registered - Updated the installer to include additional dependent DLLs - Updated to display a status message if the user selects a scan number in the peptide grid that does not have corresponding MS data in memory Version 1.3, Build 11; September 15, 2006 - Updated water loss from parent ions to be -18.01 if 1+, -9.005 if 2+, and -6 if 3+ since water loss is a neutral loss Version 1.3, Build 10; September 14, 2006 - Updated water loss from parent ion to be -18 if 1+, -9.5 if 2+, and -6.675 if 3+ - Updated labelling of peaks to display b3-NL or b3-H2O instead of b#3 or b*3 - Now labelling peaks that correspond to loss of ammonia (-17) - Change the mass of a proton from 1.01 to 1.00727649 Version 1.3, Build 9; September 14, 2006 - Updated program to consider the assumed charge state when determining which neutral loss ions to check for - Tests for loss of 98 from the parent m/z ion for all charge states - Tests for loss of 49 from the parent m/z ion for 2+ spectra - Tests for loss of 32.67 from the parent m/z ion for 3+ spectra Version 1.2, Build 8; August 18, 2006 - Recompiled source due to new development computer Version 1.2, Build 6; May 19, 2006 - Added support for reading mzXML and mzData files - Created an installer for the program Version 1.2, Build 4; May 17, 2006 - Initial release version - Can read Finnigan .Raw files and Synopsis files - User can navigate through the spectra or browse the search results - The program displays the spectra and labels the peaks based on the sequence listed in the synopsis file