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_pd_calib.2theta_offset in parameters for display
proper handling of error format in experiment cif
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src/easydiffraction/io/cif_reader.py

Lines changed: 8 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -121,8 +121,12 @@ def parameters_from_cif_block(block) -> dict:
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parameters['reflex_asymmetry_p3']['value'], parameters['reflex_asymmetry_p3']['error'] = parse_with_error(value)
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value = block.find_value('_pd_instr_reflex_asymmetry_p4') or block.find_value('_pd_instr.reflex_asymmetry_p4')
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if value is not None:
124-
parameters['reflex_asymmetry_p3'] = {}
125-
parameters['reflex_asymmetry_p3']['value'], parameters['reflex_asymmetry_p3']['error'] = parse_with_error(value)
124+
parameters['reflex_asymmetry_p4'] = {}
125+
parameters['reflex_asymmetry_p4']['value'], parameters['reflex_asymmetry_p4']['error'] = parse_with_error(value)
126+
value = block.find_value('_pd_calib_2theta_offset') or block.find_value('_pd_calib.2theta_offset')
127+
if value is not None:
128+
parameters['zero_shift'] = {}
129+
parameters['zero_shift']['value'], parameters['zero_shift']['error'] = parse_with_error(value)
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# ToF
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value = (
@@ -313,5 +317,6 @@ def parse_with_error(value: str) -> tuple:
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if not error:
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return float(value), 0.0 # 1.23()
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else:
316-
return float(value), float(error) # 1.23(4)
320+
err = (10 ** -(len(f'{value}'.split('.')[1]) - 1)) * int(error)
321+
return float(value), err
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return float(value), None # 1.23

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