Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "612333132cd35eacea930a2472bede41",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.06,
"b": 83.06,
"c": 133.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.670,2.370],
"number_observations": 447894,
"number_observations_unique": 22331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.370],
"number_observations": 34694,
"number_observations_unique": 1635,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.714
},
{
"type": "R(meas)",
"value": 1.756
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
},
{
"resolution_limits": [39.670,10.600],
"number_observations": 3830,
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 33.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}