Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14d05d9a23da101449bafe09350b8978",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.230,
"b": 41.544,
"c": 72.130,
"alpha": 90.00,
"beta": 104.11,
"gamma": 90.00
},
"wavelengths": [1.30510],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.960,1.600],
"number_observations": 138512,
"number_observations_unique": 27511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 3192,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.078
},
{
"type": "R(pim)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 45.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
},
{
"resolution_limits": [69.960,8.760],
"number_observations": 1067,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}