Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1147f3db2719f1e9f2ace29b725b960",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.79,
"b": 67.79,
"c": 166.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.000,1.750],
"number_observations": 215122,
"number_observations_unique": 23801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 11906,
"number_observations_unique": 1281,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.234
},
{
"type": "R(meas)",
"value": 2.364
},
{
"type": "R(pim)",
"value": 0.764
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [34.000,9.090],
"number_observations": 1501,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}