Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb7ee7e31128c3a97a5189d2bf7564b1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 92.710,
"b": 94.172,
"c": 71.627,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.07,1.89],
"number_observations_unique": 16521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.027,1.895],
"number_observations": 4838,
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.234
},
{
"type": "R(meas)",
"value": 1.356
},
{
"type": "R(pim)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 67.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.552
}
]
},
{
"resolution_limits": [66.067,6.109],
"number_observations": 4832,
"number_observations_unique": 825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 41.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}