Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15433cc9b3fb1155b08de32df6eaafae",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.656,
"b": 61.418,
"c": 72.227,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.790,1.590],
"number_observations": 446457,
"number_observations_unique": 30884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 19664,
"number_observations_unique": 1458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.870
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [46.790,8.720],
"number_observations": 2635,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 53.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}