Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c04626e7c9d20a71680537caa67bd4dd",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 105.782,
"b": 105.782,
"c": 304.905,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [304.900,2.150],
"number_observations": 2341149,
"number_observations_unique": 94712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 23.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 24.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.150],
"number_observations": 242158,
"number_observations_unique": 13045,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.393
},
{
"type": "R(meas)",
"value": 1.431
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 18.600
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [304.900,6.790],
"number_observations": 72757,
"number_observations_unique": 3384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 56.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}