Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "448a98f6cd62d6c4341d0f60f9dad68e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.39,
"b": 77.49,
"c": 99.85,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.920,1.630],
"number_observations": 237780,
"number_observations_unique": 38047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 14650,
"number_observations_unique": 2792,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.246
},
{
"type": "R(meas)",
"value": 1.389
},
{
"type": "R(pim)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.477
}
]
},
{
"resolution_limits": [49.920,7.290],
"number_observations": 2843,
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}