Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3518ce9cc7ab24733ad239b1f4bd51c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.591,
"b": 71.591,
"c": 150.637,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.460,1.350],
"number_observations": 1017659,
"number_observations_unique": 85496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.350],
"number_observations": 20876,
"number_observations_unique": 3560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.616
},
{
"type": "R(meas)",
"value": 0.675
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [29.460,7.410],
"number_observations": 7012,
"number_observations_unique": 641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}