Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f14dab07ff7ea6e41397694e3f431c24",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 24.823,
"b": 151.535,
"c": 47.745,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.390,1.030],
"number_observations": 514459,
"number_observations_unique": 45013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.050,1.030],
"number_observations": 9642,
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.103
},
{
"type": "R(pim)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 80.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [40.390,5.630],
"number_observations": 3491,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}