Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "24b6378920a66a3632ba1fb22b47dad8",
"space_group_name": "P 1",
"unit_cell": {
"a": 55.43,
"b": 66.13,
"c": 67.79,
"alpha": 101.78,
"beta": 88.67,
"gamma": 111.20
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.261,1.245],
"number_observations_unique": 185853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 93.2
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [66.261,3.697],
"number_observations_unique": 9293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 44.0
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.311,1.245],
"number_observations_unique": 9296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.676
},
{
"type": "R(meas)",
"value": 0.803
},
{
"type": "R(pim)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 68.2
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
}
]
}