Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e58f1433f6c120133fe0296cd2e9bdd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.621,
"b": 54.535,
"c": 87.486,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.486,1.597],
"number_observations_unique": 27755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.625,1.597],
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.689
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
}
]
}