Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "739e465ebc9951da306ce7de1d0b4ef1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.716,
"b": 65.420,
"c": 84.380,
"alpha": 90.00,
"beta": 93.66,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.760,2.050],
"number_observations": 155231,
"number_observations_unique": 47105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 11676,
"number_observations_unique": 3434,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.035
},
{
"type": "R(meas)",
"value": 1.229
},
{
"type": "R(pim)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [68.760,9.170],
"number_observations": 1871,
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
}
]
}