Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb0afb72dd26376a5991a6709c30c396",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.476,
"b": 80.904,
"c": 100.504,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.48,1.40],
"number_observations_unique": 77680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [48.48,7.67],
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.42,1.40],
"number_observations_unique": 3783,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.244
},
{
"type": "R(meas)",
"value": 1.462
},
{
"type": "R(pim)",
"value": 0.763
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.572
}
]
}
]
}