Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f88b33764efdf16e81751557e8a1d99",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 77.25,
"b": 46.22,
"c": 63.83,
"alpha": 90.00,
"beta": 94.62,
"gamma": 90.00
},
"wavelengths": [1.37000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.620,1.500],
"number_observations_unique": 70394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 43.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 22760,
"number_observations_unique": 1753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [63.620,8.220],
"number_observations": 2785,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 87.300
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}