Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40acd648d7cc9db39e0b3aa5098bf189",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 97.817,
"b": 161.855,
"c": 168.647,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.740,2.300],
"number_observations": 586952,
"number_observations_unique": 118305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations": 19121,
"number_observations_unique": 5743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [20.740,12.600],
"number_observations": 4090,
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 69.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}