Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "528e2703b8131c09e4126bf63faadca4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.140,
"b": 91.993,
"c": 130.501,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.310,2.460],
"number_observations": 488084,
"number_observations_unique": 36987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.460],
"number_observations": 74681,
"number_observations_unique": 5437,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.135
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [71.310,7.790],
"number_observations": 13758,
"number_observations_unique": 1319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 58.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}