Write precursor isolation window to mzML#327
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MzmlWriter emitted the selected-ion m/z, activation type, and collision energy for each MS2 precursor, but never an <isolationWindow> element, so the isolation range was lost on export even though it is already available as ScanParameters.ISOLATION_WIDTH. Downstream mzML consumers could recover only the precursor centre m/z, not the window. Emit the isolation window per precursor in MzmlWriter._write_scan, reusing psims' precursor isolation_window support: target m/z = precursor m/z and lower/upper offsets = half the controller isolation width. The change is guarded so scans without an isolation width are written unchanged. Add a regression test (TestTopNIsolationWindow) asserting every MS2 scan in the written mzML carries an isolationWindow centred on its precursor with lower/upper offsets equal to half the isolation width.
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MzmlWriter emitted the selected-ion m/z, activation type, and collision energy for each MS2 precursor, but never an element, so the isolation range was lost on export even though it is already available as ScanParameters.ISOLATION_WIDTH. Downstream mzML consumers could recover only the precursor centre m/z, not the window.
Emit the isolation window per precursor in MzmlWriter._write_scan, reusing psims' precursor isolation_window support: target m/z = precursor m/z and lower/upper offsets = half the controller isolation width. The change is guarded so scans without an isolation width are written unchanged.
Add a regression test (TestTopNIsolationWindow) asserting every MS2 scan in the written mzML carries an isolationWindow centred on its precursor with lower/upper offsets equal to half the isolation width.