mzrecal - v1.1.4

Highlights for this release: * Report average mass shift of MS2 precursors ("CalibShiftPPM" tag in JSON output file) * Include defaults for minimum scores reported by MS-Amanda * Extended self test * Several smaller fixes

Full Changelog: https://github.com/524D/mzrecal/compare/v1.1.3...v1.1.4

- Go
Published by 524D about 2 years ago

mzrecal - v1.1.3

Handle the case where mzID file uses alternative CV terms to record the spectrum timestamp. This fixes the incorrect behavior with output from Comet (and possibly others).

- Go
Published by 524D over 2 years ago

mzrecal - v1.1.2

Fix Docker build script. Update dependencies.

- Go
Published by 524D almost 3 years ago

mzrecal - v1.1.1

Update dependencies No functional changes. External dependencies where updated to handle GitHub dependabot vulnarability report.

- Go
Published by 524D over 3 years ago

mzrecal - v1.1.0

Use gonum instead of GSL for finding the optimal calibration parameters. mzRecal in now 100% Go code. Previous versions used the GSL library, which made the code significantly more complex and required cgo to build. This is now solved. In general, the new version generates slightly better recalibration results compared to previous versions. Added preliminary support for recalibration of mzML files that contain profile spectra. This does not work well yet, since no proper peak picking is implemented.

- Go
Published by 524D about 5 years ago

mzrecal - v1.0.1

Switched to Go module based install, needed for Go 1.16. No functional changes.

- Go
Published by 524D over 5 years ago

mzrecal - v1.0.0

Added outlier detection to mzQC. Added selection of spectrum range to operate on.
Minor other changes.

- Go
Published by 524D over 5 years ago

mzrecal - Hopefully the final pre-release!

- Go
Published by 524D almost 6 years ago

mzrecal - Another pre release

- Go
Published by 524D about 6 years ago

mzrecal - Initial pre-release!

- Go
Published by 524D over 6 years ago