Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bfbffcf6b6edb31a1e81397f0fde4ec5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 93.46,
"b": 108.28,
"c": 149.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,1.590],
"number_observations_unique": 201565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 17.610
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 8.3
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.590],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.800,1.680],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.950,1.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 96.200
}
]
},
{
"resolution_limits": [2.130,1.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.380,2.130],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [2.750,2.380],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
"value": 29.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.370,2.750],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 34.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.760,3.370],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 38.9
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [100,4.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 40.0
},
{
"type": "Completeness",
"value": 99.200
}
]
}
]
}