Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "84ffb03cefa23660ae3970f37bd0f762",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 39.222,
"b": 73.082,
"c": 73.283,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96550],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.75,1.248],
"number_observations_unique": 50198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.9
},
{
"type": "Completeness",
"value": 95
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.337,1.248],
"number_observations_unique": 2510,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.5
},
{
"type": "R(pim)",
"value": 0.5
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 56
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.576
}
]
}
]
}