Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6f64ad57eccb8dba83a27291a55df64",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 44.947,
"b": 53.204,
"c": 113.698,
"alpha": 90.00,
"beta": 101.12,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.87,2.21],
"number_observations": 44903,
"number_observations_unique": 13135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.27,2.21],
"number_observations": 3623,
"number_observations_unique": 1085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.895
},
{
"type": "R(meas)",
"value": 1.066
},
{
"type": "R(pim)",
"value": 0.572
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
}
]
}