Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01f46e09b5386bcbbf61dfebd2607fbf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.181,
"b": 149.303,
"c": 94.539,
"alpha": 90.00,
"beta": 97.64,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.850,2.000],
"number_observations": 611144,
"number_observations_unique": 79687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.000],
"number_observations": 34502,
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [46.850,10.200],
"number_observations": 4637,
"number_observations_unique": 629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}