Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d82d1066a18f0cda5bb6ed1727c148f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.703,
"b": 57.400,
"c": 64.731,
"alpha": 90.00,
"beta": 94.85,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.58,1.15],
"number_observations": 452635,
"number_observations_unique": 86361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 31.3
},
{
"type": "Completeness",
"value": 77.0
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.17,1.15],
"number_observations": 311,
"number_observations_unique": 310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Redundancy",
"value": 1.0
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
}
]
}