Qemistree 2020.1.4

Major changes in Qemistree 2020.1.4 release are:

• MGF file QC: If the MGF file has formatting errors (eg. no MS1 are included in the MGF, or if an MS1 entry does not have a corresponding MS2 entry), then an appropriate error message will help users troubleshoot this step before proceeding forward
• Deprecating iTOL plots (qemistree plot module) and replacing it with EMPress tree plot (https://github.com/biocore/empress)
• Updated tutorial (README.md) to reflect the changes

Qemistree 2020.1.3 release

Change Log:

• Handles cases when the number of fingerprints is more than the number of features in the feature table (due to additional filtering (#125 updates _match.py @anupriyatripathi)
• Makes normalizing bar plots optional (#125 updates `_plot.py @anupriyatripathi)
• Makes plot importable (#130 updates __init__.py @anupriyatripathi)
• Updated README, function docs and tests (#122 #125 #126 #127 @stephramos17 @anupriyatripathi)

🎉

Qemistree 2020.1.2 release

This release includes two major changes:

• used clusterinfo file from GNPS to enrich feature metadata. We pull library IDs, SMILES and parent mass information from this file. The previous release used DB_results which did not have parent mass, hence deprecated
• introduces qemistree plot module which takes a user-defined sample and features metadata and outputs a qzv file to a decorated tree. This tree can be visualized and updated in iTOL.
• Bug fixes

Qemistree 2020.1.1 relase

Includes:

• bug fixes in get-classyfire-taxonomy and _itol_metadata.py to tackle tree rendering errors
• additional unit tests for Classyfire edge cases

🎉

Qemistree 2020.1.0 release

🎉 Initial release for q2-qemistree 🎉