Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ac586d8365bd415bdb369a1553feccf2",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 117.947,
"b": 117.947,
"c": 52.222,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [117.950,2.360],
"number_observations": 218410,
"number_observations_unique": 15701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.360],
"number_observations": 16127,
"number_observations_unique": 1132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.676
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [117.950,10.560],
"number_observations": 2160,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}