Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "583e3c36620f79738976c170f429da73",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 183.695,
"b": 183.695,
"c": 183.695,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.810,2.650],
"number_observations_unique": 29913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.590
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.650],
"number_observations": 24345,
"number_observations_unique": 2957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.230
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations": 27674,
"number_observations_unique": 2961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.838
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.340
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations": 31467,
"number_observations_unique": 2970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.797
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.590
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations": 33843,
"number_observations_unique": 2969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.390
}
]
},
{
"resolution_limits": [3.340,3.140],
"number_observations": 33814,
"number_observations_unique": 2971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.360
}
]
},
{
"resolution_limits": [3.590,3.340],
"number_observations": 33505,
"number_observations_unique": 2962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.190
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations": 33840,
"number_observations_unique": 3017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.030
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations": 33345,
"number_observations_unique": 2987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [5.670,4.520],
"number_observations": 33741,
"number_observations_unique": 3023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.060
}
]
},
{
"resolution_limits": [19.810,5.670],
"number_observations": 33545,
"number_observations_unique": 3096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 20.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.560
}
]
}
]
}