Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf38db88f215cc0d11ba7bf42f96fd5b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 90.128,
"b": 119.461,
"c": 94.552,
"alpha": 90.00,
"beta": 91.03,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.970,2.300],
"number_observations": 137111,
"number_observations_unique": 44048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 11967,
"number_observations_unique": 4279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [35.970,8.910],
"number_observations": 2340,
"number_observations_unique": 742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}