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Deconvolved heatmaps: color by QScore, cosine score or SNR, show or hide masses by charge states - #300
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Deconvolved heatmaps: color by QScore, cosine score or SNR, show or hide masses by charge states#300t0mdavid-m wants to merge 1 commit into
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… charge states The deconvolved MS1 and MS2 heatmaps join each point to its mass in the mass table, so the toolbar can color the masses by QScore, cosine score or SNR and show or hide them by how many charge states they were found in. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01FkEGepMGFjQpUf3ahLDYh2
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Requested by Tom · project thread
What it does
The deconvolved MS1 and MS2 heatmaps now use the heatmap toolbar's color by and layers controls (openms-insight 0.7.5):
This makes it quick to see where the well-scored masses sit in the run, and to hide the masses found in a single charge state.
How
insight_data.with_mass_scores()joins each heatmap point to its mass in the stored mass table by (spectrum, mass index) and addsqscore,cosine,snrandcharge_states.render._heatmap()applies it to the deconvolved heatmaps when a mass table exists, adds the mass table to the cache sources, and passescolor_columns/layer_columnat render time. Raw heatmaps are unchanged.test_mass_scores_join_the_heatmap_by_spectrum_and_mass(MS1 and MS2, on the example workspace).pytest tests/: 1477 passed; pylint errors-only clean.Screenshots (example workspace, Deconvolution view)
Before:
After, color menu:
Colored by QScore:
Layers menu:
Masses in a single charge state hidden:
Generated by Claude Code