Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc890a9551ede2ab1b5f91945df86fab",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.351,
"b": 96.625,
"c": 57.907,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.950,1.770],
"number_observations": 148648,
"number_observations_unique": 22688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 6943,
"number_observations_unique": 1215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.896
},
{
"type": "R(meas)",
"value": 0.982
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [28.950,9.010],
"number_observations": 1235,
"number_observations_unique": 201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 69.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}