Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "968c7885f768b48b6e389f146a8218ca",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.573,
"b": 65.824,
"c": 70.369,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.89000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.820,1.890],
"number_observations": 143549,
"number_observations_unique": 20910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 9454,
"number_observations_unique": 1309,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.152
},
{
"type": "R(meas)",
"value": 3.399
},
{
"type": "R(pim)",
"value": 1.257
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.364
}
]
},
{
"resolution_limits": [65.820,9.060],
"number_observations": 1284,
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}