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Round 2theta range to 5dp in CIF output
1 parent 16534f7 commit fab6dda

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Lines changed: 2 additions & 2 deletions

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  • src/easydiffraction/analysis/calculators

src/easydiffraction/analysis/calculators/cryspy.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -361,8 +361,8 @@ def _convert_experiment_to_cryspy_cif(
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cif_lines.append(f'{engine_key_name} {attr_obj.value}')
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x_data = experiment.data.x
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twotheta_min = float(x_data.min())
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twotheta_max = float(x_data.max())
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twotheta_min = f'{np.round(x_data.min(), 5):.5f}' # float(x_data.min())
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twotheta_max = f'{np.round(x_data.max(), 5):.5f}' # float(x_data.max())
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cif_lines.append('')
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if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
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cif_lines.append(f'_range_2theta_min {twotheta_min}')

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