Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44d23a45efc5f11bf21c77ead9c0661a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 106.118,
"b": 50.603,
"c": 86.643,
"alpha": 90.000,
"beta": 105.331,
"gamma": 90.000
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.402,1.77],
"number_observations_unique": 41648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [45.36,9.04],
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 26.4
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.81,1.77],
"number_observations_unique": 1379,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.058
},
{
"type": "R(meas)",
"value": 1.242
},
{
"type": "R(pim)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 55.8
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
}
]
}