Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0301638aae83b9e9da30c2ed5f0cc2fc",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 205.002,
"b": 205.002,
"c": 66.542,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.250,1.950],
"number_observations": 1300419,
"number_observations_unique": 116470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations": 48204,
"number_observations_unique": 5694,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.489
},
{
"type": "R(pim)",
"value": 0.533
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [47.250,10.680],
"number_observations": 7547,
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 53.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}