Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5645dd068dfd6df9d79f9d8337be3736",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 30.412,
"b": 71.626,
"c": 54.937,
"alpha": 90.000,
"beta": 104.782,
"gamma": 90.000
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.21,1.71],
"number_observations_unique": 12163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 30.7
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.74,1.71],
"number_observations_unique": 1464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 80.5
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}