Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1e88102a4778855de9b93ce6a73c862",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 36.821,
"b": 36.821,
"c": 140.777,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546,2.75520],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.623,1.227],
"number_observations_unique": 29312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 24.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.248,1.227],
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.576
},
{
"type": "R(meas)",
"value": 5.694
},
{
"type": "R(pim)",
"value": 1.140
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.7
},
{
"type": "CC(1/2)",
"value": 0.351
}
]
},
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.676
},
{
"type": "R(pim)",
"value": 0.798
},
{
"type": "Completeness",
"value": 83.8
},
{
"type": "Redundancy",
"value": 5.0
}
]
}
]
}