Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b98654b2ddf1f1f79eb01cc77921f041",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.766,
"b": 53.473,
"c": 44.959,
"alpha": 90.00,
"beta": 101.55,
"gamma": 90.00
},
"wavelengths": [0.91258],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.72,1.62],
"number_observations": 104601,
"number_observations_unique": 33696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.65,1.62],
"number_observations": 4081,
"number_observations_unique": 1625,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.627
},
{
"type": "R(meas)",
"value": 2.043
},
{
"type": "R(pim)",
"value": 1.223
},
{
"type": "I/SigI",
"value": 0.4
},
{
"type": "Redundancy",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
}
]
}