Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c51c7efab259b61ca55c0d101f59dfb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.539,
"b": 61.346,
"c": 65.337,
"alpha": 90.00,
"beta": 92.71,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.62,1.15],
"number_observations": 409369,
"number_observations_unique": 77029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.3
},
{
"type": "Completeness",
"value": 76.1
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.17,1.15],
"number_observations": 321,
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Redundancy",
"value": 1.0
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
}
]
}