Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b36e3905d7c1eaa6ae0f2bacc8a9b5a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.52,
"b": 65.89,
"c": 153.29,
"alpha": 90.00,
"beta": 100.97,
"gamma": 90.00
},
"wavelengths": [0.82000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.025,1.50],
"number_observations_unique": 158694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [54.96,8.22],
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 7829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.723
},
{
"type": "R(meas)",
"value": 0.955
},
{
"type": "R(pim)",
"value": 0.617
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.609
}
]
}
]
}