Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef2ebc723564691572a1d414c4c01e0d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.730,
"b": 47.556,
"c": 74.486,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.86702],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.08,1.71],
"number_observations": 171256,
"number_observations_unique": 25559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.9
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.74,1.71],
"number_observations": 9812,
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}