Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dded4f7cd772e0f6bcd82cc38acc2741",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.920,
"b": 65.369,
"c": 67.502,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.96,1.30],
"number_observations_unique": 43156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.32,1.30],
"number_observations_unique": 2091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 0.610
}
]
},
{
"resolution_limits": [46.96,7.12],
"number_observations_unique": 327,
"quality_factors": [
{
"type": "I/SigI",
"value": 42.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}