Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "871c1c866b15de8cff7b487d329bac31",
"space_group_name": "P 1",
"unit_cell": {
"a": 85.59,
"b": 89.44,
"c": 93.35,
"alpha": 70.850,
"beta": 67.037,
"gamma": 61.542
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.72,2.10],
"number_observations": 208361,
"number_observations_unique": 117382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 91.1
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.10],
"number_observations": 10979,
"number_observations_unique": 6011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "R(pim)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
}
]
}