Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "303e8050ca4cc25b05c1f4ed4f35d90e",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 207.918,
"b": 207.918,
"c": 143.046,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.28220,1.31900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.65,2.10],
"number_observations_unique": 179257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.21,2.10],
"number_observations_unique": 25879,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.777
},
{
"type": "R(meas)",
"value": 1.908
},
{
"type": "R(pim)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [2.64,2.50],
"number_observations_unique": 15563,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.781
},
{
"type": "R(meas)",
"value": 1.920
},
{
"type": "R(pim)",
"value": 0.712
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
}
]
}