MPACT v1.00.02

New features

• Multivariate ordination: The former PCA plot is now a dedicated ordination tab supporting PCA, NMDS, and PLS-DA.
• Sample quality-control tools: New dendrogram views color-coded by replicate grouping and annotated with bootstrap support values, plus a sample-to-sample correlation matrix for spotting outliers and mislabeled replicates.
• Interactive treemap and set-overlap (UpSet) plots, replacing the previous static images.
• Additional plot display options and controls.

Improvements

• Built-in updates: MPACT now checks for new releases and offers to refresh the Natural Products Atlas database automatically.
• One-click bug reporting: Unexpected errors can be submitted as a pre-filled GitHub report.
• Faster interface through general performance improvements.
• Now licensed under GPLv3.

MPACT v1.00.01

Adds a standalone Windows build — download, unzip, and run MPACT.exe, no Anaconda or Python installation required.

Fixes a bug where running the bootstrap dendrogram in the packaged build could spawn multiple duplicate application windows and lock up the interface, caused by how the packaged build's parallel processing was initialized.

Includes a roughly 15% reduction in analysis runtime measured in testing.

Other Changes

• Refactor data handling, add tests by @robertsamples in #1
• importdata: remove dead duplicate block, derive iondict in memory by @robertsamples in #2
• architecture notes by @robertsamples in #3
• Refactor database search as standalone script by @robertsamples in #4
• Fix pandas TypeError: iondict['hits'] = '' infers a strict string dtype by @robertsamples in #5
• Refactor feature table tab to add filters by @robertsamples in #6
• Portable build by @robertsamples in #7