Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fe2c034b6dbfea014018ffa2b461580",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 28.868,
"b": 29.378,
"c": 55.119,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.56,1.000],
"number_observations_unique": 13041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.017,1.000],
"number_observations_unique": 643,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.401
},
{
"type": "R(meas)",
"value": 4.769
},
{
"type": "R(pim)",
"value": 1.826
},
{
"type": "I/SigI",
"value": 0.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.45
}
]
},
{
"resolution_limits": [27.56,2.714],
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 61.8
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}