New Features

• Import - Support targeted MS/MS data from Agilent MassHunter acquired with alternating MS and MS/MS mode

  File > Import has a new Extract MS/MS from Alternating MS and MS/MS Data option for Agilent MassHunter targeted MS/MS data files. This new option allows separating MS and MS/MS data acquired with alternating MS and MS/MS modes to create a properly aligned chromatographic image.

• Import - Support importing drift spectra from Agilent MassHunter IMS data files (HRMS Edition only)

  The new File > Import Agilent MassHunter IMS Data menu allows importing drift spectra from Agilent MassHunter IMS data files. This feature is only available in HRMS Edition software.

• Import/View - Auto and Configurable Spectral Axis Label

  The software now recognizes common spectral types (including mass, UV, and drift spectrum) automatically based on the source data file, and displays the corresponding spectral axis label (i.e. m/z, wavelength, and drift time). The supported source data file formats include Agilent ChemStation, MassHunter, and Shimadzu LCD. Also, a user can configure the axis label by setting the MS Axis Label custom attribute in View > Image Attributes > Miscellaneous.

• View - Generate SIC with Adducts

  View > SIC View has a new option that allows generating selected ion chromatograms with adducts. A user can select adducts from a list of common observed adducts in positive and negative ion modes. In addition, the new option is available in MS Viewer that allows adding and overlaying mass ranges computed based on adduct selection to a spectrum for visual inspection.

• View - Generate Base Peak Chromatogram (BPC)

  The new View > BPC View menu allows viewing the base peak chromatogram.

• View - New MS Cube layout for exploring SICs

  View > MS Cube UI has a new layout and default 2D View display settings for browsing and exploring SICs.

  Changes:

  • Copy to Clipboard menus are moved to tool bar. Cube View and 2D View copy menu is removed.
  • 2D View options are turned on by default, and moved to View Controls tab.
  • 3D View angle controls are moved to Advanced tab.
  • Visibility threshold is set to 0.1% by default. Its increment is set to 0.001.
  • Slicer animation delay is set to 500ms by default.
• Edit - Keep all blob properties when merging two blobs

  Edit > Edit Blobs now copies all blob properties from the active blob to the new blob when merging two blobs.

• Tools - Edit Blobs in Detect/Edit Blob Cursor Mode

  Edit Blobs UI can now be invoked directly from the right-click menu of the Blob > Detect/Edit Blobs cursor mode. When invoked, the UI is set to focus on the currently selected blob.

• Tools - Merge Blobs in Detect/Edit Blob Cursor Mode

  Blob > Detect/Edit Blobs mode now supports merging the selected blobs through the right-click menu. Blobs must be un-excluded and have touching bounding boxes to be merged.

• Tools - Exclude Multiple Blobs in Detect/Edit Blob Cursor Mode

  Exclude Blobs is now enabled for multiple blobs in Blob > Detect/Edit Blobs mode. Left mouse click while holding Ctrl key can be used to select multiple blobs in the Detect/Edit Blobs cursor mode.

• Tools - Interactive Editing of Blob Boundary

  Blob > Detect/Edit Blobs mode now supports editing the boundary of a blob using the peak height based threshold. An editing UI can be invoked through the right-click menu Filter Blob Outline that allows adjusting the threshold and examining the result interactively.

• Method - New Method Command for Library Search

  New Search Library for Blobs and Search Library for Areas commands can now be added to a Method.

• Investigator - Lower Memory Usage for Large Analysis Files

  Investigator now uses less memory on average for large analysis files with many samples.

• Investigator - Faster Open for Large Analysis Files

  Investigator now opens large analysis files faster than before.

Fixed Bugs

• I/O - Failed to import the MS1 part for a MS1/MS2 mixed data file [I-775]

  If a data file is acquired with MS and then followed by MS/MS, importing the file might fail if only the MS run time is specified.

• I/O - Failed to save after importing a MS1/MS2 mixed data file with some shorter run time [I-782]

  If a data file is acquired with MS and then followed by MS/MS, saving the image might fail if too much MS2 data was truncated by the specified shorter run time during import.

• View - MS Cube failed with exception on 1D chromatogram [I-790]

  View > MS Cube failed for chromatograms with Column I or Column II pixel size equal to 1.

• View - MS Cube failed with exception if MS Data Binning settings are specified only with PPM [I-535]

  View > MS Cube failed if Configure > Settings > Multi-Channel > MS Data Binning is set to Dynamic or Adaptive Bins with 0 mu and some ppm.

• Edit - Merge Blobs did not update blob groups and constellations [I-792]

  Edit > Edit Blobs > Merge two blobs with either group or constellation name set did not refresh the group or constellation in Blob and Blob Set tables.

  Workaround: Save and re-open the image.

• Edit - Run script with Blob Mask Edit command pushed redundant undo entries [I-795]

  Edit > Edit Blobs > edit two blobs' masks, and save a script. Running the script would push two identical Blob Mask Edit entries to the journal.

• Method - Detect Blobs step did not honor Library Search settings when Run Method from Image program [I-682]

  Method > Manage & Run Methods > Run did not perform library search when blob detection was performed and Perform Library Lookup after Blob Detection automatically is enabled in Library Search configuration.

  Workaround: Manually perform library search after running the method command.

• Investigator - Different attribute values were reported after saving and reopening an analysis that contains duplicate compounds [I-777]

  Investigator may report different attribute values after saving an analysis if the analysis contains an image with more than one compounds that have the same name.

• Investigator - Cancel button was non-responsive during Open Analysis [I-778]

  Investigator > File > Open a big analysis and then cancel. The operation was not canceled until the entire analysis was loaded.

Changes

• Menu and Toolbar changes
  • Blob > Detect Blob cursor mode name changed to Detect/Edit Blobs.