Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "33c17fb7120e1aa3b90f54436eb3c5b4",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.717,
"b": 88.717,
"c": 39.562,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.360,1.020],
"number_observations": 1003362,
"number_observations_unique": 156522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 45814,
"number_observations_unique": 7706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.601
},
{
"type": "R(meas)",
"value": 0.660
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [44.360,5.590],
"number_observations": 7125,
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 43.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}