Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b155852bfc11aad77abbfa113e9ec470",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.878,
"b": 52.867,
"c": 44.455,
"alpha": 90.00,
"beta": 102.97,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.010,1.760],
"number_observations": 91745,
"number_observations_unique": 25397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations": 4463,
"number_observations_unique": 1398,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.518
},
{
"type": "R(meas)",
"value": 1.818
},
{
"type": "R(pim)",
"value": 0.984
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.353
}
]
},
{
"resolution_limits": [55.010,8.970],
"number_observations": 813,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}