Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "608df9f75dad3d0a59f79ad418c47d13",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.633,
"b": 51.917,
"c": 105.119,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.550,1.300],
"number_observations": 376145,
"number_observations_unique": 58203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 18706,
"number_observations_unique": 2836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.991
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [46.550,7.120],
"number_observations": 2429,
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}