Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f30884957cd9113b91160f6c54b6946f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.850,
"b": 92.244,
"c": 78.952,
"alpha": 90.00,
"beta": 98.43,
"gamma": 90.00
},
"wavelengths": [1.10460],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.120,1.700],
"number_observations": 321983,
"number_observations_unique": 85751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.897
},
{
"type": "Completeness",
"value": 77.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.621
}
]
},
{
"resolution_limits": [46.120,9.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}