Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "379d04472d1ae70f25a84741fcf5afdc",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 77.660,
"b": 77.660,
"c": 230.798,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.79,1.19],
"number_observations_unique": 86141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [43.79,6.52],
"number_observations_unique": 601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 93.6
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.21,1.19],
"number_observations_unique": 4234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.666
},
{
"type": "R(pim)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.665
}
]
}
]
}