Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0939b87c811b8b0638acfacb97a393cd",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.782,
"b": 71.782,
"c": 151.241,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.550,1.630],
"number_observations": 653985,
"number_observations_unique": 49894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.630],
"number_observations": 23624,
"number_observations_unique": 2292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.900
},
{
"type": "R(meas)",
"value": 0.947
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [29.550,8.900],
"number_observations": 4314,
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 84.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}