Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8befbb1896ea54fd2f3fc12bac781444",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.247,
"b": 67.418,
"c": 138.738,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.420,2.380],
"number_observations": 173686,
"number_observations_unique": 26048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.380],
"number_observations": 15524,
"number_observations_unique": 2650,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.857
},
{
"type": "R(meas)",
"value": 2.043
},
{
"type": "R(pim)",
"value": 0.833
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [69.420,8.920],
"number_observations": 3340,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 39.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
}
]
}