Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "532c036fba3cd2d85c04147b7fbca5ea",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 135.248,
"b": 98.136,
"c": 61.922,
"alpha": 90.00,
"beta": 99.53,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.05,3.21],
"number_observations": 44125,
"number_observations_unique": 13104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [3.27,3.21],
"number_observations": 2095,
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.070
},
{
"type": "R(meas)",
"value": 1.271
},
{
"type": "R(pim)",
"value": 0.680
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.320
}
]
}
]
}