Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e329b2a793616ff1fdb68149c7de5c19",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 110.147,
"b": 179.293,
"c": 87.865,
"alpha": 90.00,
"beta": 106.81,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.89,2.10],
"number_observations": 444668,
"number_observations_unique": 93857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.10],
"number_observations": 19742,
"number_observations_unique": 4547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.994
},
{
"type": "R(meas)",
"value": 1.134
},
{
"type": "R(pim)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.470
}
]
}
]
}