Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4755e0a8cfb427609e73a7ae08bab91c",
"space_group_name": "I 4",
"unit_cell": {
"a": 101.96,
"b": 101.96,
"c": 59.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.700],
"number_observations_unique": 8514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.220
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.700],
"number_observations": 6113,
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.070
}
]
},
{
"resolution_limits": [2.910,2.800],
"number_observations": 6097,
"number_observations_unique": 836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.040,2.910],
"number_observations": 6102,
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.230
}
]
},
{
"resolution_limits": [3.200,3.040],
"number_observations": 6230,
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.270
}
]
},
{
"resolution_limits": [3.400,3.200],
"number_observations": 6274,
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.320
}
]
},
{
"resolution_limits": [3.660,3.400],
"number_observations": 6134,
"number_observations_unique": 843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.250
}
]
},
{
"resolution_limits": [4.030,3.660],
"number_observations": 6130,
"number_observations_unique": 845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.220
}
]
},
{
"resolution_limits": [4.600,4.030],
"number_observations": 6367,
"number_observations_unique": 867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 21.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.310
}
]
},
{
"resolution_limits": [5.780,4.600],
"number_observations": 6200,
"number_observations_unique": 848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 24.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.280
}
]
},
{
"resolution_limits": [20.000,5.780],
"number_observations": 6255,
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 39.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.020
}
]
}
]
}