Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd77de0a35088d63c9502f732bfdd32f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.023,
"b": 100.316,
"c": 62.816,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07140,1.04480,1.07180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.816,1.929],
"number_observations_unique": 20112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.930],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.976
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [44.820,9.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}