Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "660d618945f2ef41adaf1e216df6ea76",
"space_group_name": "P 43 3 2",
"unit_cell": {
"a": 138.083,
"b": 138.083,
"c": 138.083,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97624],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.83,1.510],
"number_observations_unique": 70726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 77.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.510],
"number_observations_unique": 5120,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.958
},
{
"type": "R(meas)",
"value": 2.979
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 72.800
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [69.030,6.750],
"number_observations_unique": 954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 85.7
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 66.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}