Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8cb49795c1f401ce5f044d39221a498",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 54.623,
"b": 145.385,
"c": 46.801,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.710,1.780],
"number_observations": 184656,
"number_observations_unique": 36612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations": 10512,
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [28.710,8.900],
"number_observations": 1538,
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 54.300
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}