Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2fd52344101d7f1ed3b44efe8467cab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.509,
"b": 49.320,
"c": 90.904,
"alpha": 90.0,
"beta": 111.7,
"gamma": 90.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.550],
"number_observations_unique": 82989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations_unique": 7758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations_unique": 8282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations_unique": 8314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations_unique": 8302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations_unique": 8328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations_unique": 8286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.320,2.100],
"number_observations_unique": 8372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.650,2.320],
"number_observations_unique": 8331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.340,2.650],
"number_observations_unique": 8441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [100.000,3.340],
"number_observations_unique": 8575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
}
]
}