Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b7e2e2231da4352eaaca2757b1eedf0e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.249,
"b": 53.495,
"c": 44.404,
"alpha": 90.00,
"beta": 100.95,
"gamma": 90.00
},
"wavelengths": [0.91258],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.10,1.56],
"number_observations": 112639,
"number_observations_unique": 37437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.59,1.56],
"number_observations": 4099,
"number_observations_unique": 1831,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.116
},
{
"type": "R(meas)",
"value": 1.424
},
{
"type": "R(pim)",
"value": 0.874
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
}
]
}