Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3819f05d93268934d61bc70a9398bf30",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.444,
"b": 99.444,
"c": 99.542,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.120,1.550],
"number_observations": 246181,
"number_observations_unique": 27580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 12494,
"number_observations_unique": 2007,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.444
},
{
"type": "R(meas)",
"value": 1.577
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.612
}
]
},
{
"resolution_limits": [65.120,6.930],
"number_observations": 3085,
"number_observations_unique": 354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 83.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}