Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53b42aa5d2f1514f22db34863b85dc97",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.68,
"b": 45.90,
"c": 62.90,
"alpha": 90.00,
"beta": 111.86,
"gamma": 90.00
},
"wavelengths": [0.93930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.460,1.630],
"number_observations": 123930,
"number_observations_unique": 38063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 5626,
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(pim)",
"value": 0.491
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [54.460,8.940],
"number_observations": 564,
"number_observations_unique": 221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 82.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}