Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "768348c18725b99ce86c120a61c39f1e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 208.273,
"b": 112.676,
"c": 187.899,
"alpha": 90.00,
"beta": 91.34,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [187.848,1.693],
"number_observations": 2937017,
"number_observations_unique": 426322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.777,1.693],
"number_observations": 161920,
"number_observations_unique": 21315,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.790
},
{
"type": "R(pim)",
"value": 0.695
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.307
}
]
},
{
"resolution_limits": [187.848,4.814],
"number_observations": 136237,
"number_observations_unique": 21316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 23.4
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}