Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7820cc1509d8e9dd06305c5884b8440d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.589,
"b": 130.211,
"c": 82.534,
"alpha": 90.00,
"beta": 104.31,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.97,1.40],
"number_observations": 1209616,
"number_observations_unique": 175389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.44,1.40],
"number_observations": 87753,
"number_observations_unique": 12918,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.309
},
{
"type": "R(meas)",
"value": 1.419
},
{
"type": "R(pim)",
"value": 0.540
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
}
]
}