Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a246083843122e7e88082df2c57d84c",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 183.787,
"b": 183.787,
"c": 183.787,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950,1.73840,1.75120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.98,1.68],
"number_observations_unique": 30852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.77,1.68],
"number_observations_unique": 4406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.4
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [2.16,2.06],
"number_observations_unique": 2442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.902
},
{
"type": "R(meas)",
"value": 0.973
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [2.16,2.05],
"number_observations_unique": 2452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "R(meas)",
"value": 0.872
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
}
]
}