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Add fallback option for three data point calibration for TWIMS - #47

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kheal merged 3 commits into
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46_power_law_3point_fallback
Mar 11, 2026
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Add fallback option for three data point calibration for TWIMS#47
kheal merged 3 commits into
masterfrom
46_power_law_3point_fallback

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@kheal kheal commented Mar 10, 2026

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This PR enables a fallback option for TWIMS CCS calibration (deimos.calibration.calibrate_ccs with power = TRUE) for the scenario where we only have three calibration points. It does this by using the formula y = a*x^b, where y is reduced CCS, x is drift time, fit for a and b. Added associated tests to cover scenarios with <4 calibration points for power law calibrations.

It also fixes a small CI/CD error regarding pytest.

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kheal marked this pull request as ready for review March 11, 2026 00:03
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kheal merged commit caa8c04 into master Mar 11, 2026
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@kheal kheal self-assigned this Mar 12, 2026
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kheal deleted the 46_power_law_3point_fallback branch March 16, 2026 18:25
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