Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31c5e177bc63dc5b298962b851ffb4bc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 86.062,
"b": 90.224,
"c": 121.415,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95366],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.15,1.65],
"number_observations_unique": 57078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [45.15,9.04],
"number_observations_unique": 4905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 51.7
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 2792,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.263
},
{
"type": "R(meas)",
"value": 2.437
},
{
"type": "R(pim)",
"value": 0.902
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
}
]
}