Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44c04b0e114c38c320c62d2b73b5b8ef",
"space_group_name": "P 1",
"unit_cell": {
"a": 36.293,
"b": 45.458,
"c": 53.687,
"alpha": 83.91,
"beta": 71.85,
"gamma": 83.78
},
"wavelengths": [0.91600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.79,1.010],
"number_observations_unique": 156702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,1.010],
"number_observations_unique": 6765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "R(meas)",
"value": 0.856
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "Completeness",
"value": 80.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.589
}
]
},
{
"resolution_limits": [28.77,5.530],
"number_observations_unique": 992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}