Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd7d910bf3bf70c8b9087ffea199ada8",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.53,
"b": 59.99,
"c": 79.65,
"alpha": 79.56,
"beta": 81.09,
"gamma": 75.49
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.900,1.760],
"number_observations": 149802,
"number_observations_unique": 83225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.760],
"number_observations": 11257,
"number_observations_unique": 6086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.989
},
{
"type": "R(pim)",
"value": 0.699
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
},
{
"resolution_limits": [33.900,7.870],
"number_observations": 1789,
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}