Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d596ef9ac92ed4da7c1e96766cc40d5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.798,
"b": 53.132,
"c": 44.453,
"alpha": 90.00,
"beta": 102.82,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.040,1.600],
"number_observations": 113844,
"number_observations_unique": 33777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.048
},
{
"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": [1.630,1.600],
"number_observations": 4307,
"number_observations_unique": 1584,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.368
},
{
"type": "R(meas)",
"value": 1.698
},
{
"type": "R(pim)",
"value": 0.990
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [55.040,8.770],
"number_observations": 826,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}