Pre-release

@kevinkovalchik kevinkovalchik released this Dec 4, 2018 · 57 commits to multithreading since this release

Assets 6

NOTE: This is a beta release. If you want the latest stable release look for v1.3.3. However, if you are looking for the newest features and fixes before they come out in the official release, then the beta is what you want. Be aware that new .zip files will appear under the Assets section as we add features and work out kinks. So to get the most recent version, look for the file with the largest number after "beta" in the title.

This release makes some significant changes to the processing workflow intended to improve performance, especially for large files (as in issue #6). This is a beta release. Feel free to try it out, but know there might be some bugs. If you find any, please let us know!

Also addressed in this release is issue #11. In that issue we note the number of scans reported is not always correct. This should be fixed here.

NOTE: When originally released, the .zip file available for download was actually a .tar file with the wrong extension. This has been fixed. [2018-12-04]

Changes

  • RawTools-1.4.0-beta.3.zip Relative paths are now supported for all arguments.
  • RawTools-1.4.0-beta.2.zip Precursor peaks are now extracted based on picked m/z rather than monoisotopic m/z.
  • This release adds a new "logdump" function, which outputs the raw file instrument log to a text file. Use it like this:
    RawTools logdump -f [path to raw file]
    RawTools logdump -d [directory in which to get log files from all raw files]
    Pretty much everything about how the instrument was operating is in there, scan by scan, from capillary temperature to lens voltages to turbopump lifetimes, etc.

Bugs found (in the beta) and fixed

  • Use of relative paths in QC arguments was resulting in duplicate nested folders for the QC output. This has been fixed in RawTools-1.4.0-beta.3.zip [2018-12-11]
  • -N was being ignored during writing of MGF files for QC, resulting in all spectra being searched. This has been fixed in RawTools-1.4.0-beta.3.zip. [2018-12-11]
  • RawTools-1.4.0-beta.zip has a bug where it crashes when it encounters an empty centroid stream. This has been fixed in RawTools-1.4.0-beta.1.zip [2018-12-05]
  • Output matrix from parse ended in _parse.txt rather than _Matrix.txt. This has been fixed in RawTools-1.4.0.beta.2.zip [2018-12-07]

@kevinkovalchik kevinkovalchik released this Nov 9, 2018 · 37 commits to master since this release

Assets 3

New examples section for command line interface (see >RawTools examples for info).
Several bug fixes. See changelog for details.

@kevinkovalchik kevinkovalchik released this Oct 26, 2018 · 62 commits to master since this release

Assets 3

Some minor bug fixes in this release. See changelog for details.

@kevinkovalchik kevinkovalchik released this Oct 9, 2018 · 71 commits to master since this release

Assets 3

This version of RawTools adds MS1 isolation interference calculation and refinement of precursor charge-state and monoisotopic mass. See changelog for further details.

@kevinkovalchik kevinkovalchik released this Sep 24, 2018 · 114 commits to master since this release

Assets 3

This version of RawTools adds support for the X! Tandem search engine. See the changelog for more details on updates and changes.

@kevinkovalchik kevinkovalchik released this Sep 14, 2018 · 126 commits to master since this release

Assets 3

RawTools 1.1.1

Fixes bugs present in RawTools 1.1.0

@kevinkovalchik kevinkovalchik released this Sep 13, 2018 · 132 commits to master since this release

Assets 3

RawTools 1.1.0

This is the initial release of RawTools