Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae6d80724be9f7b89be29bd76b67c74f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.643,
"b": 52.352,
"c": 44.369,
"alpha": 90.00,
"beta": 103.08,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.620,1.890],
"number_observations": 72321,
"number_observations_unique": 20393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 4815,
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.445
},
{
"type": "R(meas)",
"value": 1.692
},
{
"type": "R(pim)",
"value": 0.870
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.279
}
]
},
{
"resolution_limits": [54.620,8.850],
"number_observations": 813,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}