Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9ce3f74dcf4ccb9dd258a4080c9aec0",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 37.219,
"b": 37.219,
"c": 290.266,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99988],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.380,1.500],
"number_observations_unique": 71951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 30482,
"number_observations_unique": 1855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.883
},
{
"type": "R(meas)",
"value": 0.911
},
{
"type": "R(pim)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [48.380,8.220],
"number_observations": 4733,
"number_observations_unique": 334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}