Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d29821b61d99ca17fb40b324ec4e8eba",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 53.110,
"b": 63.150,
"c": 78.386,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.970,2.050],
"number_observations": 36867,
"number_observations_unique": 8521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 2836,
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.977
},
{
"type": "R(pim)",
"value": 0.524
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [43.970,8.940],
"number_observations": 495,
"number_observations_unique": 129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 72.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}