Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1fdafb1ffd5e48f30f4acdc3112c9696",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.174,
"b": 97.392,
"c": 58.051,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.030,1.790],
"number_observations": 124704,
"number_observations_unique": 22021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 2584,
"number_observations_unique": 938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "R(meas)",
"value": 0.684
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 70.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [29.030,8.960],
"number_observations": 1281,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}