Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd849391040a74ce2a9fcee2875a46d0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.679,
"b": 52.873,
"c": 44.557,
"alpha": 90.00,
"beta": 103.06,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.870,1.570],
"number_observations": 120698,
"number_observations_unique": 35596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 4511,
"number_observations_unique": 1715,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.175
},
{
"type": "R(meas)",
"value": 1.459
},
{
"type": "R(pim)",
"value": 0.853
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
},
{
"resolution_limits": [54.870,8.600],
"number_observations": 894,
"number_observations_unique": 237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}