Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "805c801e3f56c95472a6fc4fca40e7ea",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.62,
"b": 122.04,
"c": 198.33,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.840,2.470],
"number_observations": 458826,
"number_observations_unique": 65451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.470],
"number_observations": 31069,
"number_observations_unique": 4519,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.065
},
{
"type": "R(pim)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [69.840,11.340],
"number_observations": 4916,
"number_observations_unique": 790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}