Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da249ed9171395df930cc9697b14e4cb",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 144.517,
"b": 144.517,
"c": 56.542,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.530,1.750],
"number_observations_unique": 107457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 8981,
"number_observations_unique": 2491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 75.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [44.530,9.090],
"number_observations": 3224,
"number_observations_unique": 441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}