Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26242f47c7bdba1e8b34ff22dbaf4d6c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.54,
"b": 71.23,
"c": 97.20,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000,1.86000,5.76000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.29,1.32],
"number_observations_unique": 110952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.5
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.34,1.32],
"number_observations_unique": 5330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.843
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 5139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
}
]
}