Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff40290fb1fd5fe905eadf85aea9bde8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 29.84,
"b": 45.52,
"c": 47.15,
"alpha": 90.00,
"beta": 97.23,
"gamma": 90.00
},
"wavelengths": [0.97776],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.770,1.600],
"number_observations": 87849,
"number_observations_unique": 15753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 4615,
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [46.770,8.760],
"number_observations": 703,
"number_observations_unique": 113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}