Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "621dbaf2f6fcc12821df9b7caed8f8e4",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 69.31,
"b": 69.31,
"c": 92.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.87300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.690,2.250],
"number_observations": 139352,
"number_observations_unique": 12703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 12890,
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [36.690,9.000],
"number_observations": 2044,
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}