Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12f7f9856365b39ab28e78abd7e16f8b",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 96.429,
"b": 96.429,
"c": 46.423,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.40,2.07],
"number_observations_unique": 13521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 26.990
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 13.86
},
{
"type": "CC(1/2)",
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}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.080],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "I/SigI",
"value": 4.080
},
{
"type": "Completeness",
"value": 94.400
}
]
},
{
"resolution_limits": [2.360,2.210],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "I/SigI",
"value": 7.820
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.550,2.360],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.790,2.550],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
"value": 20.870
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.120,2.790],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.600,3.120],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
"value": 46.190
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.400,3.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
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}
]
},
{
"resolution_limits": [6.200,4.400],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
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}
]
},
{
"resolution_limits": [48.174,6.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 58.270
},
{
"type": "Completeness",
"value": 99.700
}
]
}
]
}