Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d32fba2331893b75957add2e1b6e5c9a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.149,
"b": 102.333,
"c": 146.297,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.770,2.280],
"number_observations": 189608,
"number_observations_unique": 31128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.280],
"number_observations": 15274,
"number_observations_unique": 2656,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.297
},
{
"type": "R(meas)",
"value": 2.535
},
{
"type": "R(pim)",
"value": 1.053
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.200
}
]
},
{
"resolution_limits": [48.770,9.100],
"number_observations": 2250,
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}