Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "584360f97b058dd95796725ce7b60abb",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.322,
"b": 94.069,
"c": 117.344,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.890,1.050],
"number_observations": 1771533,
"number_observations_unique": 160734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.050],
"number_observations": 14828,
"number_observations_unique": 3498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.443
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 40.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [19.890,5.750],
"number_observations": 14498,
"number_observations_unique": 1160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 51.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}