Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f77c3fa7beb9e210627bcfd5b5c87f6",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 56.181,
"b": 56.181,
"c": 164.347,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.650,1.740],
"number_observations_unique": 59049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 20365,
"number_observations_unique": 1537,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.263
},
{
"type": "R(meas)",
"value": 1.310
},
{
"type": "R(pim)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
},
{
"resolution_limits": [48.650,9.040],
"number_observations": 3214,
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}