Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f246d655a8339beeddd4399b99aa59ce",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 148.440,
"b": 44.239,
"c": 47.496,
"alpha": 90.00,
"beta": 100.58,
"gamma": 90.00
},
"wavelengths": [1.11590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.550],
"number_observations_unique": 43975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations_unique": 4234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.918
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations_unique": 4366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations_unique": 4428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations_unique": 4376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations_unique": 4372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations_unique": 4415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.320,2.100],
"number_observations_unique": 4412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.650,2.320],
"number_observations_unique": 4399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [3.340,2.650],
"number_observations_unique": 4431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [50.000,3.340],
"number_observations_unique": 4542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.4
}
]
}
]
}