Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10d265fef0bb925f43aa62f5ac972be6",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 49.038,
"b": 114.502,
"c": 164.372,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.580,1.8526],
"number_observations_unique": 39856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.8526],
"number_observations_unique": 2338,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.110
},
{
"type": "R(meas)",
"value": 3.446
},
{
"type": "R(pim)",
"value": 1.455
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.215
}
]
},
{
"resolution_limits": [39.580,9.070],
"number_observations_unique": 399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}