Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa1f0fd9e8c91af2cea12ee32d254da6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.616,
"b": 60.600,
"c": 44.483,
"alpha": 90.000,
"beta": 116.202,
"gamma": 90.000
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.33,1.62],
"number_observations_unique": 25338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0335
},
{
"type": "R(meas)",
"value": 0.03934
},
{
"type": "R(pim)",
"value": 0.02029
},
{
"type": "I/SigI",
"value": 22.65
},
{
"type": "Completeness",
"value": 97.59
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.678,1.62],
"number_observations_unique": 2511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3323
},
{
"type": "R(meas)",
"value": 0.3839
},
{
"type": "R(pim)",
"value": 0.1901
},
{
"type": "I/SigI",
"value": 4.04
},
{
"type": "Completeness",
"value": 96.64
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
}
]
}