NEWS.md

In sneumann/MsBackendMsp: Mass Spectrometry Data Backend for NIST msp Files

MsBackendMsp 1.7

Changes in 1.7.3

• Strip whitespaces in values of comments/header information
• Support also name:value header pairs in addition to name: value (issue #14).
• Add support for parallel processing for import from a single (large) MSP file.

Changes in 1.7.2

• Add additional checks to the format of input MSP files to ensure proper data import.

Changes in 1.7.1

• Import method generics from ProtGenerics. Requires ProtGenerics version 1.35.3.

MsBackendMsp 1.3

Changes in 1.3.1

• Use the full unit test suite from the Spectra package to check validity of the MsBackendMsp.

MsBackendMsp 0.99

Changes in 0.99.4

• Import coreSpectraVariables from Spectra.

Changes in 0.99.2

• Small updates and changes.

Changes in 0.99.1

• Address review comments.

MsBackendMsp 0.98

Changes in 0.98.2

• Vignette added.

Changes in 0.98.1

• Improve export method to support multi-value fields and user-provided mappings.

Changes in 0.98.0

• Add additional spectra variable mappings.
• Call unit tests from the Spectra package.

MsBackendMsp 0.0

Changes in 0.0.5

• Add possibility to define mapping between spectra variables and MSP data fields.
• Support duplicated data fields in a single MSP entry.

Changes in 0.0.4

• Fix tests to match new columns in MSP parsing
• Start using Spectra generic tests

sneumann/MsBackendMsp documentation built on Sept. 29, 2024, 4:36 p.m.