Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "385795a8e45139e1cbe9625adec9d8db",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.14,
"b": 31.79,
"c": 73.74,
"alpha": 90.000,
"beta": 90.347,
"gamma": 90.000
},
"wavelengths": [0.96000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.04,2.13],
"number_observations_unique": 13153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.5
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.17,2.13],
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.643
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
}
]
}