Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7d107fa6891a19df4d07c65c3eba768",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.594,
"b": 82.315,
"c": 124.495,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.660,1.850],
"number_observations": 448345,
"number_observations_unique": 34744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.850],
"number_observations": 22290,
"number_observations_unique": 3453,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.727
},
{
"type": "R(meas)",
"value": 2.969
},
{
"type": "R(pim)",
"value": 1.114
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 63.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [68.660,5.860],
"number_observations": 16745,
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}