Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6f412bdccf5a8e565012939a5cf5c335",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.990,
"b": 82.990,
"c": 133.609,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.930,2.430],
"number_observations": 404284,
"number_observations_unique": 20684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.430],
"number_observations": 31041,
"number_observations_unique": 1516,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.725
},
{
"type": "R(meas)",
"value": 1.769
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [48.930,10.870],
"number_observations": 4074,
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 56.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}