Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4c514dfe1209c7ac38c508066791038",
"space_group_name": "P 1",
"unit_cell": {
"a": 23.733,
"b": 33.161,
"c": 83.467,
"alpha": 99.87,
"beta": 90.07,
"gamma": 110.94
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.510,2.800],
"number_observations": 19984,
"number_observations_unique": 5625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.555
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [22.510,8.860],
"number_observations_unique": 169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}