Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "726e051be1487eb4bae5d81e23c5b447",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.995,
"b": 135.622,
"c": 94.075,
"alpha": 90.000,
"beta": 104.691,
"gamma": 90.000
},
"wavelengths": [0.87300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.981,2.20],
"number_observations_unique": 71792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [2.25,2.2],
"number_observations_unique": 4593,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.608
},
{
"type": "R(pim)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
}
]
}