Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c5cd2770c5d427ad623d33f61708c76",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 124.224,
"b": 124.224,
"c": 40.901,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.840,1.720],
"number_observations": 435827,
"number_observations_unique": 38711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.720],
"number_observations": 29297,
"number_observations_unique": 2823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.759
},
{
"type": "R(meas)",
"value": 0.799
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [29.840,7.690],
"number_observations": 5257,
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 53.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}