Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "729f25fef4a6324a22b4f2f9bdd1b4ec",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.507,
"b": 154.868,
"c": 90.483,
"alpha": 90.00,
"beta": 109.25,
"gamma": 90.00
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.210,1.950],
"number_observations": 544409,
"number_observations_unique": 151085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations": 24487,
"number_observations_unique": 7458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.790
},
{
"type": "R(meas)",
"value": 0.947
},
{
"type": "R(pim)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [63.210,10.680],
"number_observations": 3440,
"number_observations_unique": 954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 46.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}