Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4420eb7baaaa72a900ed8898188c611d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 98.252,
"b": 128.020,
"c": 73.870,
"alpha": 90.00,
"beta": 103.38,
"gamma": 90.00
},
"wavelengths": [0.97876],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.591,2.116],
"number_observations_unique": 50331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.152,2.116],
"number_observations_unique": 2487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.699
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
}
]
}