From 97b6402ac910830651de1191eeb8177e019862e9 Mon Sep 17 00:00:00 2001 From: Chengxin Dai <37200167+daichengxin@users.noreply.github.com> Date: Fri, 7 Mar 2025 19:35:06 +0800 Subject: [PATCH 1/2] Update CHANGELOG.md --- CHANGELOG.md | 31 +++++++++++++++++++++++++++---- 1 file changed, 27 insertions(+), 4 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index feec1b99..bda26f2c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -11,15 +11,38 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` -- [#423](https://github.com/bigbio/quantms/pull/423) Updated OpenMS==3.2.0 -- [#423]() Update thermorawfileparser==1.4.5 -- [#423]() Update quantms-utils==0.0.12 +- [#474](https://github.com/bigbio/quantms/pull/423) Updated OpenMS==3.3.0 +- [#485](https://github.com/bigbio/quantms/pull/485) Support for DIA-NN 2.0 +- [#489](https://github.com/bigbio/quantms/pull/489) Refactor quantms-rescoring +- [#456](https://github.com/bigbio/quantms/pull/456) Optimization of process resources +- [#454](https://github.com/bigbio/quantms/pull/454) Output all DIA-NN results files ### `Fixed` +- [#482](https://github.com/bigbio/quantms/pull/486) Fixed TMT MS3 +- [#483](https://github.com/bigbio/quantms/pull/483) Fixed ms2rescore log file name +- [#420](https://github.com/bigbio/quantms/pull/420) Fixed MSGFDB index memory error +- [#485](https://github.com/bigbio/quantms/pull/485) Fixed DIA-NN results format conversion + ### `Dependencies` -- openms==3.2.0 +- openms==3.3.0 +- quantms-utils==0.0.19 +- quantms-rescoring==0.0.5 + +### `Parameters` + +- isotope_correction: Enable isotope correction +- plex_corr_matrix_file: Path to the correction matrix file for isobaric labelling, defaults are in assets folder +- quant_activation_method: Operate only on MSn scans where any of its precursors features a certain activation method +- ms2_fragment_method: The fragmentation method used during tandem MS +- diann_report_decoys: Save decoy PSMs to the main .parquet report for DIA-NN 2.0 +- diann_export_xic: Instructs DIA-NN to extract MS1/fragment chromatograms for identified precursors + +### `Deprecations` + +- [#450](https://github.com/bigbio/quantms/pull/450) Removes the posterior_probabilities parameter + ## [1.3.0] nfcore/quantms - [08/04/2024] - Santiago de Cuba From ca49fc076100b35ebed8ee843ada0b068332ad9d Mon Sep 17 00:00:00 2001 From: Chengxin Dai <37200167+daichengxin@users.noreply.github.com> Date: Fri, 7 Mar 2025 19:44:11 +0800 Subject: [PATCH 2/2] Update CHANGELOG.md --- CHANGELOG.md | 1 - 1 file changed, 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index bda26f2c..c7c2012c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -43,7 +43,6 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#450](https://github.com/bigbio/quantms/pull/450) Removes the posterior_probabilities parameter - ## [1.3.0] nfcore/quantms - [08/04/2024] - Santiago de Cuba ### `Added`