Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f8d517e231b24ced3dde7a34b3f666c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.860,
"b": 114.486,
"c": 63.640,
"alpha": 90.00,
"beta": 99.28,
"gamma": 90.00
},
"wavelengths": [1.09720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,2.2],
"number_observations": 3480275,
"number_observations_unique": 25277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 18.7
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.28,2.2],
"number_observations": 30904,
"number_observations_unique": 2131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 80.3
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
}
]
}