Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4879eb8e98383b1b8d4e7264eab0da49",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 76.365,
"b": 125.542,
"c": 118.577,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [118.580,1.7790],
"number_observations_unique": 54888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,1.780],
"number_observations": 165482,
"number_observations_unique": 24767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.362
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [118.580,3.080],
"number_observations": 70253,
"number_observations_unique": 10854,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 58.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}