Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d34ba0c03fd030e450a1b7bdfd680217",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 48.545,
"b": 114.161,
"c": 163.961,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98450],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.8566,2.030],
"number_observations_unique": 29446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 12502,
"number_observations_unique": 2158,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.729
},
{
"type": "R(meas)",
"value": 5.194
},
{
"type": "R(pim)",
"value": 2.128
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [46.840,9.080],
"number_observations": 2046,
"number_observations_unique": 391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}