Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54ae8037c2f72797b8b443dc84431e16",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 206.019,
"b": 113.177,
"c": 187.302,
"alpha": 90.0,
"beta": 92.9,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [102.878,2.774],
"number_observations": 1063568,
"number_observations_unique": 75758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 94.2
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.043,2.774],
"number_observations": 54598,
"number_observations_unique": 3789,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.947
},
{
"type": "R(pim)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 14.4
},
{
"type": "CC(1/2)",
"value": 0.708
}
]
},
{
"resolution_limits": [102.878,8.602],
"number_observations": 52528,
"number_observations_unique": 3787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 24.6
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}