Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef3f0f11e9e370cf97a9dd58ca755e50",
"space_group_name": "P 1",
"unit_cell": {
"a": 41.813,
"b": 63.857,
"c": 75.625,
"alpha": 77.87,
"beta": 90.10,
"gamma": 89.83
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.940,2.800],
"number_observations": 54004,
"number_observations_unique": 16285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.970,2.800],
"number_observations": 8597,
"number_observations_unique": 2595,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.334
},
{
"type": "R(meas)",
"value": 1.578
},
{
"type": "R(pim)",
"value": 0.833
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.498
}
]
},
{
"resolution_limits": [43.410,8.400],
"number_observations": 2040,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}