Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b301ff6c668e0c4ea465de77898e4ec",
"space_group_name": "P 1",
"unit_cell": {
"a": 34.811,
"b": 39.924,
"c": 43.546,
"alpha": 74.06,
"beta": 76.11,
"gamma": 74.05
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.420,0.940],
"number_observations": 435391,
"number_observations_unique": 119854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.950,0.940],
"number_observations": 16132,
"number_observations_unique": 5203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.884
},
{
"type": "R(meas)",
"value": 1.068
},
{
"type": "R(pim)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [37.420,5.140],
"number_observations": 3073,
"number_observations_unique": 832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 49.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}