Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6912990de9d1b798831c143df0f321e9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.902,
"b": 57.270,
"c": 67.118,
"alpha": 90.000,
"beta": 99.591,
"gamma": 90.000
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.180,1.803],
"number_observations_unique": 14742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 90.7
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.972,1.803],
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.312
},
{
"type": "R(pim)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 66.0
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
}
]
}