Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "344a5c7e33efdafcd3b6a13de72abddd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.633,
"b": 54.604,
"c": 134.519,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54190],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.590,2.180],
"number_observations": 82983,
"number_observations_unique": 16137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.180],
"number_observations": 8129,
"number_observations_unique": 2106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.528
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [50.590,6.880],
"number_observations": 2986,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}