Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "638debae8651546dc41fd862fdf5d1e3",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 57.80,
"b": 57.80,
"c": 123.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.090,1.770],
"number_observations": 165219,
"number_observations_unique": 39258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 9825,
"number_observations_unique": 1244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [21.090,8.850],
"number_observations": 1324,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}