Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4f46b54931fd06b26a95c684a3b5235",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 268.46,
"b": 60.10,
"c": 145.00,
"alpha": 90.00,
"beta": 116.22,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [120.420,2.770],
"number_observations": 177049,
"number_observations_unique": 53122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.910,2.770],
"number_observations": 116766,
"number_observations_unique": 34356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [120.420,3.910],
"number_observations": 60283,
"number_observations_unique": 18766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 33.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}