Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48ed524d080339b5c6f36e144730b372",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 36.845,
"b": 36.845,
"c": 140.913,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546,2.75520],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.647,1.098],
"number_observations_unique": 40695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 23.4
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.117,1.098],
"number_observations_unique": 2017,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.850
},
{
"type": "R(meas)",
"value": 3.951
},
{
"type": "R(pim)",
"value": 0.868
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.394
}
]
},
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 73.0
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
}
]
}