Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f57fa09e64401889c13f6cb74e8bff0",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 124.333,
"b": 124.333,
"c": 41.009,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.860,1.590],
"number_observations": 547122,
"number_observations_unique": 48790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.590],
"number_observations": 39284,
"number_observations_unique": 3573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 0.865
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [29.860,7.120],
"number_observations": 6610,
"number_observations_unique": 590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 68.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}