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lines changed Original file line number Diff line number Diff 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 :
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- parameters ['reflex_asymmetry_p3' ] = {}
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- parameters ['reflex_asymmetry_p3' ]['value' ], parameters ['reflex_asymmetry_p3' ]['error' ] = parse_with_error (value )
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+ parameters ['reflex_asymmetry_p4' ] = {}
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+ parameters ['reflex_asymmetry_p4' ]['value' ], parameters ['reflex_asymmetry_p4' ]['error' ] = parse_with_error (value )
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+ value = block .find_value ('_pd_calib_2theta_offset' ) or block .find_value ('_pd_calib.2theta_offset' )
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+ if value is not None :
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+ parameters ['zero_shift' ] = {}
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+ 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 :
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- return float (value ), float (error ) # 1.23(4)
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+ err = (10 ** - (len (f'{ value } ' .split ('.' )[1 ]) - 1 )) * int (error )
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+ return float (value ), err
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return float (value ), None # 1.23
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