Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01afd1c9e6c3954ee16b9a51d94288af",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.771,
"b": 94.419,
"c": 100.430,
"alpha": 90.00,
"beta": 102.06,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.810,1.400],
"number_observations": 1068262,
"number_observations_unique": 227495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations": 114072,
"number_observations_unique": 23533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [19.810,5.240],
"number_observations": 21547,
"number_observations_unique": 4251,
"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",
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},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
}
]
}