Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5fc8df814b8d0eb9a2c46cf7471e754",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.395,
"b": 84.272,
"c": 66.363,
"alpha": 90.00,
"beta": 94.59,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40,1.9],
"number_observations_unique": 38884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
"refln_shells": [
{
"resolution_limits": [1.93,1.90],
"number_observations_unique": 1606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 81.1
},
{
"type": "Redundancy",
"value": 2.6
}
]
},
{
"resolution_limits": [1.97,1.93],
"number_observations_unique": 1886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [2.01,1.97],
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [2.05,2.01],
"number_observations_unique": 1877,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [2.09,2.05],
"number_observations_unique": 1961,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [2.14,2.09],
"number_observations_unique": 1927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 3.2
}
]
}
]
}