Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "138ddacfa78ac0028a4d66bfdd9a78c6",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 101.54,
"b": 154.76,
"c": 38.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.780],
"number_observations_unique": 16034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 19.310
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
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}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.780],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.439
},
{
"type": "I/SigI",
"value": 1.450
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 8.3
}
]
},
{
"resolution_limits": [3.200,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "I/SigI",
"value": 3.630
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.400,3.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
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}
]
},
{
"resolution_limits": [3.700,3.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.200,3.700],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.800,4.200],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
"value": 38.380
},
{
"type": "Completeness",
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}
]
},
{
"resolution_limits": [5.900,4.800],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
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}
]
},
{
"resolution_limits": [8.200,5.900],
"quality_factors": [
{
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
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}
]
},
{
"resolution_limits": [50,8.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 55.040
},
{
"type": "Completeness",
"value": 98.600
}
]
}
]
}