ENH: Add ssd parameter to fourier_log_deconvolution#178
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Default (ssd=False) returns J¹(E) = I₀·S(E), the single-scattering component that an idealized (plural-scattering-free) experiment would record. Set ssd=True to divide by I₀ and recover S(E) directly, whose integral equals t/λ, for absolute quantification. Constraint: default behaviour is unchanged from prior releases Confidence: high Scope-risk: narrow Assisted-by: opus:deepseek-v4-pro
When add_zlp=True and ssd=True the ZLP must be divided by I₀ to keep units coherent with the normalised SSD output. Without scaling the raw ZLP counts (typically 10⁴–10⁶) would dominate the dimensionless SSD by 7–9 orders of magnitude. - add_zlp block computes zlp_add = zlp.data / i0 for ssd=True - Add quantification-pitfall warning to docstring - Strengthen test_add_zlp_with_ssd: verify integral = t/λ + 1 and consistency with J¹ output outside taper region - Add test_add_zlp_j1_raw_zlp: verify J¹ case adds raw ZLP - Expand user guide with J¹/SSD distinction and quantification guidance Assisted-by: deepseek-v4-pro:deepseek-v4-pro
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Description
Adds an
ssdparameter tofourier_log_deconvolutionthat optionally returns the normalised single-scattering distributionS(E)instead of the defaultJ^1(E) = I₀ · S(E).ssd=False(default)J¹(E)I₀ · t/λssd=TrueS(E)t/λAdditional fixes
add_zlpscaling: Whenadd_zlp=Truewithssd=True, the ZLP is now correctly scaled by1/I₀to match SSD normalisation. Previously raw ZLP counts were added, producing nonsense output 7–9 orders of magnitude too large.J¹(E)must be divided byI₀for areal-density quantification.Changes
exspy/signals/_eels.py—ssdparameter +add_zlpscaling fix + docstring warningexspy/tests/signals/test_eels.py— 7 new tests inTestFourierLogDeconvolutiondoc/user_guide/eels.rst— expanded Deconvolutions sectionupcoming_changes/168.enhancements.rst— towncrier changelogTest results
two_area_powerlaw_estimation*failures unrelated to this PR)References