Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c864ff30b08c50508758ba1b4eb1d50c",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 76.87,
"b": 76.87,
"c": 47.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97916],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.200,1.630],
"number_observations": 127616,
"number_observations_unique": 18139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 6246,
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "R(meas)",
"value": 0.977
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [40.200,8.930],
"number_observations": 840,
"number_observations_unique": 145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 33.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}