Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a5305ba2c211e0173d99d06db875e938",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.84,
"b": 109.10,
"c": 117.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.090,1.800],
"number_observations": 639842,
"number_observations_unique": 91013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 29694,
"number_observations_unique": 4437,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.628
},
{
"type": "R(pim)",
"value": 1.077
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.405
}
]
},
{
"resolution_limits": [80.090,9.860],
"number_observations": 4118,
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}