Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a38a8d58b2af7b5b2013245b8dfaa3a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.520,
"b": 52.930,
"c": 43.947,
"alpha": 90.00,
"beta": 102.31,
"gamma": 90.00
},
"wavelengths": [0.91257],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.90,1.69],
"number_observations": 85519,
"number_observations_unique": 27474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.72,1.69],
"number_observations": 3399,
"number_observations_unique": 1271,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.225
},
{
"type": "R(meas)",
"value": 1.518
},
{
"type": "R(pim)",
"value": 0.881
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.283
}
]
}
]
}