---------------------------------------------------------------------------
ValueError Traceback (most recent call last)
Cell In[17], line 4
1 if len(pols) > 1:
2 # Calculate XMCD
3 xmcd = pol1 - pol2
----> 4 print(xmcd)
6 for name, spectra in xmcd.spectra.items():
7 print(spectra)
File /dls_sw/apps/mmg_toolbox/latest/mmg_toolbox/mmg_toolbox/xas/spectra_container.py:392, in SpectraContainerSubtraction.__str__(self)
390 def __str__(self):
391 s = super().__str__()
--> 392 return s + '\n' + self.sum_rules_report()
File /dls_sw/apps/mmg_toolbox/latest/mmg_toolbox/mmg_toolbox/xas/spectra_container.py:434, in SpectraContainerSubtraction.sum_rules_report(self, n_holes, mode)
423 """
424 Calculate sum rules of XMCD spectra and return report
425
(...)
431 :returns: str
432 """
433 spectra = self.spectra[mode or self.metadata.default_mode]
--> 434 n_holes = spa.d_electron_holes(self.metadata.element) if n_holes is None else n_holes
435 report = "=== Sum Rules === \n"
436 report += f"{self.metadata.default_mode} signal = {self.calculate_signal_ratio()[self.metadata.default_mode]:.2%}\n"
File /dls_sw/apps/mmg_toolbox/latest/mmg_toolbox/mmg_toolbox/xas/spectra_analysis.py:451, in d_electron_holes(element)
449 def d_electron_holes(element: str) -> float:
450 """Return the number of holes in the d-orbital for a given element"""
--> 451 return 10 - d_electron_count(element)
File /dls_sw/apps/mmg_toolbox/latest/mmg_toolbox/mmg_toolbox/xas/spectra_analysis.py:432, in d_electron_count(element)
430 element, oxidation, sign = match.groups()
431 if element not in NEUTRAL_D_ELECTRONS:
--> 432 raise ValueError('Unknown d electrons in element: {}'.format(element))
433 if sign == '+':
434 oxidation_value = int(oxidation or 1)
ValueError: Unknown d electrons in element: Ge
Error spotted in scan:
/dls/i10-1/data/2026/mm43478-1/i10-1-59569.nxscmd: scan energy 1220 1300 0.1 mcse16 0.2 mcse17 0.2 mcse18 0.2 mcse19 0.2