Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "367ceb25b4d5f24086a1f46bbb6daeb1",
"space_group_name": "I 4 3 2",
"unit_cell": {
"a": 151.222,
"b": 151.222,
"c": 151.222,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97622,1.73888,1.74478],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.74,2.20],
"number_observations_unique": 15322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.32,2.20],
"number_observations_unique": 2188,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.100
},
{
"type": "R(meas)",
"value": 1.148
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.6
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [2.30,2.18],
"number_observations_unique": 2271,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.589
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [2.53,2.40],
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"quality_factors": [
{
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"value": 1.742
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.6
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
}
]
}