Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6cb01c98e903a717c0562238f8b0cc2",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.345,
"b": 59.789,
"c": 79.913,
"alpha": 79.38,
"beta": 81.48,
"gamma": 75.77
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.080,1.560],
"number_observations": 204321,
"number_observations_unique": 117075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.560],
"number_observations": 25390,
"number_observations_unique": 17002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.981
},
{
"type": "R(meas)",
"value": 1.388
},
{
"type": "R(pim)",
"value": 0.981
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.422
}
]
},
{
"resolution_limits": [78.080,4.930],
"number_observations": 6747,
"number_observations_unique": 3729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}