Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3688b0d942b3764351db71b10d1339e4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 78.765,
"b": 51.941,
"c": 57.063,
"alpha": 90.00,
"beta": 113.59,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.370,2.117],
"number_observations_unique": 22836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.120],
"number_observations": 11669,
"number_observations_unique": 1744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.999
},
{
"type": "R(meas)",
"value": 1.082
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [37.370,6.690],
"number_observations": 2386,
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
}
]
}