Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4533f480652124619fe76bb976bc7201",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.770,
"b": 88.770,
"c": 39.449,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.380,1.020],
"number_observations": 996330,
"number_observations_unique": 156088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 43514,
"number_observations_unique": 7549,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.224
},
{
"type": "R(meas)",
"value": 1.346
},
{
"type": "R(pim)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [44.380,5.590],
"number_observations": 7094,
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 42.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}