Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6bbf83999bb0bae64652f7d615d88e0",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.283,
"b": 94.283,
"c": 33.091,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.650,2.300],
"number_observations": 139876,
"number_observations_unique": 7731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 10341,
"number_observations_unique": 764,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.555
},
{
"type": "R(meas)",
"value": 1.616
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [81.650,8.910],
"number_observations": 2319,
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}