Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31e4bdebae49bfb3b054be3758a917a2",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 243.16,
"b": 243.16,
"c": 243.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.450,2.240],
"number_observations": 2156843,
"number_observations_unique": 113347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 5629,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.972
},
{
"type": "R(meas)",
"value": 2.024
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.179
}
]
},
{
"resolution_limits": [39.450,12.290],
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}