PeakPerformance - A tool for Bayesian inference-based fitting of LC-MS/MS peaks - v0.7.2

What's Changed

• Pin NumPy 1 for the time being by @michaelosthege in https://github.com/JuBiotech/peak-performance/pull/29
• Improve UX by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/35
• improve figure 3 by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/37
• Add example starting from .mzML file and vendor file format by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/36
• Joss review paper additions by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/38
• Re-format paper at the end of review by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/39
• Format link to documentation as link by @michaelosthege in https://github.com/JuBiotech/peak-performance/pull/40
• Review from JOSS editor by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/42
• Remove http prefix from DOI entries by @michaelosthege in https://github.com/JuBiotech/peak-performance/pull/43
• Update reference to bib file by @xuanxu in https://github.com/JuBiotech/peak-performance/pull/44
• Final corrections prior to publication in JOSS by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/45

New Contributors

• @xuanxu made their first contribution in https://github.com/JuBiotech/peak-performance/pull/44

Full Changelog: https://github.com/JuBiotech/peak-performance/compare/v0.7.1...v0.7.2

Scientific Software - Peer-reviewed - Python
Published by Y0dler about 1 year ago

PeakPerformance - A tool for Bayesian inference-based fitting of LC-MS/MS peaks - v0.7.1

What's Changed

• Unpin NumPy version limit by @michaelosthege in https://github.com/JuBiotech/peak-performance/pull/16
• Bump contributor-assistant/github-action from 2.4.0 to 2.5.1 by @dependabot in https://github.com/JuBiotech/peak-performance/pull/18
• Bump contributor-assistant/github-action from 2.5.1 to 2.5.2 by @dependabot in https://github.com/JuBiotech/peak-performance/pull/19
• Update documentation by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/20
• Update landing page by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/22
• Bump contributor-assistant/github-action from 2.5.2 to 2.6.1 by @dependabot in https://github.com/JuBiotech/peak-performance/pull/21
• Fix pre-commit environment creation by @michaelosthege in https://github.com/JuBiotech/peak-performance/pull/23
• Peak performance paper by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/17
• Restructure documentation index by @michaelosthege in https://github.com/JuBiotech/peak-performance/pull/24
• Fix docs glitches by @michaelosthege in https://github.com/JuBiotech/peak-performance/pull/26
• Add and re-arrange raw data by @Y0dler in https://github.com/JuBiotech/peak-performance/pull/25

Full Changelog: https://github.com/JuBiotech/peak-performance/compare/v0.7.0...v0.7.1

Scientific Software - Peer-reviewed - Python
Published by Y0dler over 1 year ago

PeakPerformance - A tool for Bayesian inference-based fitting of LC-MS/MS peaks - v0.7.0

• bug fix of noise_guess
• bug fix of predictive_posterior plotting function
• added external documentation on readthedocs
• refactored multi peak mean priors due to pymc update and subsequent problems with ordered transform
• accommodates plotting without saving plots via path=None
• added missing explanation regarding one setting to Template.xlsx

Scientific Software - Peer-reviewed - Python
Published by Y0dler almost 2 years ago

PeakPerformance - A tool for Bayesian inference-based fitting of LC-MS/MS peaks - v0.6.4

Added batches to README, add PyPI instructions to Installation.md and create release for zenodo.

Scientific Software - Peer-reviewed - Python
Published by Y0dler about 2 years ago

PeakPerformance - A tool for Bayesian inference-based fitting of LC-MS/MS peaks - v0.6.3

First public release on GitHub and PyPI.

Scientific Software - Peer-reviewed - Python
Published by Y0dler about 2 years ago