Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f26ceeb8286d415b75cdc8cf0a8d8476",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 103.418,
"b": 49.301,
"c": 110.696,
"alpha": 90.000,
"beta": 92.348,
"gamma": 90.000
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.682,2.90],
"number_observations_unique": 12578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 16.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [24.67,8.70],
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.08,2.90],
"number_observations_unique": 2472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "R(pim)",
"value": 0.218
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
}
]
}