[t0mdavid-m]

Before: the Configure page offered "High Res MS" and "Low Res MS". They only set the label-free Comet search and did nothing in TMT mode. They also left the precursor tolerance as it was.

After: three instrument presets, Orbitrap HCD, timsTOF and Ion Trap CID, apply to both the label-free and the TMT search. Each sets the instrument type, fragment bins, precursor tolerance and isotope errors. This matches ProSE's instrument presets (S6 in the parity list).

Preset	instrument	fragment tolerance (bin = 2×)	bin offset	precursor	isotope error
Orbitrap HCD	high_res	0.01 Da (0.02 Da bins, Comet's recommendation)	0.0	10 ppm	0/1
timsTOF	high_res	0.025 Da (0.05 Da bins)	0.0	20 ppm	0/1
Ion Trap CID	low_res	0.50025 Da (1.0005 Da bins)	0.4	20 ppm	0/1

Every instrument preset is a closed search. Applying one after the Open Search preset from #49 switches back to a ppm precursor tolerance.

How: the change is data only, in presets.json. The new tests/test_comet_presets.py checks every Comet preset against CometAdapter's own rules from release/3.5.0. It checks the valid strings for instrument, precursor units and isotope error. It also checks the fragment-bin rule that makes CometAdapter refuse to run without -force: high_res needs bins ≤ 0.1 Da and offset ≤ 0.1, and low_res needs bins ≥ 0.8 Da and offset > 0.2. This test will cover #49's Open and Closed Search presets once both branches are on main. The two branches merge without conflicts.

Checked locally: pytest (127 passed) and pylint errors-only (only the 3 E0611 pyopenms imports already on main). I also clicked "Orbitrap HCD" on the Configure page and confirmed params.json then held the values above for both CometAdapter and CometAdapter-TMT.

Not in this PR: ProSE's user-saved presets and its "modified" hint. Both belong in the template's preset_buttons, so they will go to OpenMS/streamlit-template first.

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[t0mdavid-m]

Included in #52, which is merged. Closing.

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