New Features

• Library Search - Support for the NIST20 Mass Spectral Library and Search Software

  The library search functionality of the software is now compatible with the new NIST20 Mass Spectral Library and Search Software.

Fixed Bugs

• Library Search - Some special characters in compound names were displayed incorrectly in hit lists[I-954]

  Some special characters in compound names were not being displayed properly in the hit lists returned by library search.

  Correct Character	β	γ	ω	η
  Interactive/non-HiRes Batch	ß	τ	Ω	ⁿ
  HiRes Batch	ß	?	?	?

  
  

  Additionally, chemical structure lookup with a name containing a lowercase omega (ω) did not return expected results.

• Library Search - MS/MS Search might show a wrong Library [I-862]

  When using MS Viewer > MS/MS Library Search, the hit list results could show the wrong library name if either:

  • One of the NIST MS/MS libraries (nist_msms or nist_msms2) was missing or invalid.
  • An empty or invalid user library was specified in the included libraries section of the configuration.

• Library Search - MS/MS search returned results different from Interactive search for NIST17 [I-946]

  When using NIST17, MS Viewer > MS/MS Library Search hit list results differed significantly (different match factors and ordering) from the results produced when manually performing an MS/MS search on the same spectra from the NIST MS Search Program.

  Known Issue: Slight match factor and ordering differences still occur in some cases.

• Library Search - Batch search returned hit order different from Interactive search with NIST17 if two hits have the same match factors [I-952]

  When using NIST17, batch library search and interactive library search would sometimes swap the order of hit list items with equal match factors.

• Library Search - Interactive search threw exception when hit list name contains ">>" [I-942]

  When performing interactive library search, if the returned hit list contained a compound with ">>" in the name, an exception would be thrown. This is known to occur when searching with the NIST20 "lr_msms_nist" library.

• RI - Could not set to Linear after setting to Polynomial function [I-944]

  When configuring settings for an RI table, after setting the function to Polynomial and selecting OK, the function could not be changed back to linear. The Linear option could be selected, but the fit function would remain a polynomial function.

  Affected Versions: This bug only affected version 2020r1.

• Investigator - Auto Feature reported an I/O error at the wrong step if no reliable peak found [I-725]

  When importing images in Investigator using the option Auto generate a feature template, if no reliable peaks are found, an I/O exception was thrown during the Generate Composite Chromatogram step with an unclear message: "Failed to register and add chromatogram (1007)". Now a more specific exception is thrown during the Generate Reliable Template step.