Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4e166ff22f29c64bc49ced3d485c9a4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.08,
"b": 53.97,
"c": 45.07,
"alpha": 90.00,
"beta": 101.03,
"gamma": 90.00
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.5,2.5],
"number_observations_unique": 9350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 14.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.60,2.50],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 0.800
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
}
]
}