Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66fe7837ff7c13e958ae430163088b8f",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 53.34,
"b": 53.34,
"c": 112.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.400,1.900],
"number_observations": 40802,
"number_observations_unique": 15168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 2162,
"number_observations_unique": 1025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "R(meas)",
"value": 0.651
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [15.400,8.710],
"number_observations": 360,
"number_observations_unique": 144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 65.700
},
{
"type": "Completeness",
"value": 75.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}