Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31f49aaaf9654e2a947e98a8779c0182",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.759,
"b": 61.736,
"c": 65.666,
"alpha": 90.00,
"beta": 92.94,
"gamma": 90.00
},
"wavelengths": [0.92201],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.05,1.54],
"number_observations": 291156,
"number_observations_unique": 42755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.54],
"number_observations": 36917,
"number_observations_unique": 6222,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.743
},
{
"type": "R(meas)",
"value": 1.913
},
{
"type": "R(pim)",
"value": 0.775
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.407
}
]
}
]
}