Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b46f3945a3e977e798c910af5f90f84",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 170.915,
"b": 39.519,
"c": 49.037,
"alpha": 90.00,
"beta": 103.08,
"gamma": 90.00
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.770,2.130],
"number_observations_unique": 17584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 1721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.903
},
{
"type": "R(meas)",
"value": 1.054
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [47.770,8.250],
"number_observations_unique": 341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}