Fitbauer v5.1.0

Fitbauer v5.1.0

🇪🇸 Notas en español

Minor release on top of 5.0.0: a more comfortable interface, a fidelity fix when
importing NORMOS jobs, and third-party licensing put in order.

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Importing .JOB: area constraints, properly rescaled

NORMOS constrains areas (ARE(2)=f·ARE(1)); Fitbauer's parameter is the
depth (area = depth·(π/2)·ΣΓ). When the two subspectra have different
linewidths, copying the factor verbatim mis-scaled the constrained subspectrum —
in one real job, 14 % off the NORMOS curve. Factor and offset are now rescaled
using the job's own denominators, with a warning that the ratio drifts if the fit
moves the linewidths.

Found in a bulk analysis of 357 real .JOB files. After the fix, Fitbauer
reproduces the NORMOS curve to a median 0.022 % of peak in 336 of the 337
analysable jobs —the remaining one is a fit where NORMOS itself diverged— and its
refit matches or improves NORMOS's χ² in 321 of 336.

A more comfortable interface

• Drag and drop onto the window: .ws5/.adt/.mos opens the spectrum,
  .json restores the session, and .JOB imports the NORMOS job together with
  its spectrum.
• Autosave and recovery. Every three minutes the work in progress is dumped
  to recuperacion.json (atomic write); if Fitbauer was closed without saving,
  it offers to recover it at start-up, naming the spectrum and the time. It does
  not replace saving the session: it is a safety net for the hours spent on fine
  fitting.
• Warning when closing with unsaved work (Save / Quit without saving /
  Cancel). The window used to close silently and, since autosave arrived, a clean
  close also took the recovery point with it.
• Shortcuts for the daily workflow: Ctrl+M initialise from minima,
  Ctrl+Shift+M autofit, Ctrl+E edit minima, Ctrl+F release all, Ctrl+Shift+F fix
  all. The whole cycle can now be driven from the keyboard.
• Copy results (File ▸ Copy results, Ctrl+Shift+C): the parameter table
  with its errors, χ², AIC and BIC, as tab-separated text that Excel and Origin
  paste into columns — active components only.
• Tooltips on every parameter —label, spin box and slider—, stating which
  controls open a context menu, and "Right-click ▸ More information" takes
  each parameter to its chapter of the built-in help. 38 new keys × 8 languages.
• The line profile becomes a dropdown, next to the waveform and absorber
  ones, with σ right below it. Calibration now hides what does not apply
  (−23 % panel height) and the isomer shift heads the component panel again.
• The empty state shows how to start: "Drag a spectrum here (.ws5, .adt,
  .csv…) or press Ctrl+O".

Your settings, safe

• The test suite no longer overwrites the user's configuration. Building a
  window inside a test was enough to clobber ~/.config/mossbauer_fe33_gui/; an
  autouse fixture now redirects that directory to a temporary one.
• settings.json is written atomically, and if it exists but cannot be read
  it is set aside as settings.json.corrupto instead of being overwritten.

Third-party licences

Fitbauer's code remains Apache 2.0, but distributing executables that bundle
Qt brings the LGPLv3 obligations for that part. All three are now covered:

• NOTICE and THIRD-PARTY-LICENSES.md at the root, listing every dependency
  with its licence, plus the full text of the LGPLv3 and GPLv3 in licenses/.
  All four travel inside the ZIP and inside the PyInstaller build.
• The About dialog states that Qt is used through PySide6 under the LGPLv3,
  in all 8 languages.
• The READMEs explain how to replace the Qt libraries (LGPLv3 §4): the source
  distribution does not bundle Qt at all —pip installs it— and in the one-dir
  build it is enough to replace the .so/.dll files under
  _internal/PySide6/, with no rebuild.

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Full suite: 584 tests passing.