Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9ec5b89af83d1eea4048191ccdf5ce3",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.252,
"b": 112.542,
"c": 62.472,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.410,1.200],
"number_observations_unique": 90140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 23.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations_unique": 4339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.642
},
{
"type": "R(meas)",
"value": 0.670
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [66.410,6.570],
"number_observations_unique": 641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}