Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6a62afc45c9657d1b5e6409e35e02f6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.208,
"b": 93.652,
"c": 119.259,
"alpha": 90.00,
"beta": 106.29,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.410,3.300],
"number_observations": 115298,
"number_observations_unique": 13906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.560,3.300],
"number_observations": 23610,
"number_observations_unique": 2853,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.825
},
{
"type": "R(meas)",
"value": 1.965
},
{
"type": "R(pim)",
"value": 0.712
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [47.410,8.730],
"number_observations": 6220,
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 59.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}