Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "25ae899592ae0f8313ad6df5aebd7a47",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 85.016,
"b": 85.016,
"c": 91.624,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.39,2.48],
"number_observations": 134485,
"number_observations_unique": 13996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.58,2.48],
"number_observations": 15613,
"number_observations_unique": 1552,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.643
},
{
"type": "R(meas)",
"value": 1.731
},
{
"type": "R(pim)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
}
]
}