Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10642f05e047e96a59c30bbf2d28ed78",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 167.701,
"b": 222.446,
"c": 194.157,
"alpha": 90.00,
"beta": 100.01,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.53,3.3],
"number_observations_unique": 105041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
"refln_shells": [
{
"resolution_limits": [3.36,3.3],
"number_observations_unique": 5177,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.263
}
]
},
{
"resolution_limits": [49.53,18.07],
"number_observations_unique": 638,
"quality_factors": [
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}