Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a0c515f7c86e7a4e0e040d4d11f5338",
"space_group_name": "P 41",
"unit_cell": {
"a": 87.34,
"b": 87.34,
"c": 143.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99997],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.670,2.650],
"number_observations_unique": 31192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.650],
"number_observations": 35820,
"number_observations_unique": 4121,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.425
},
{
"type": "R(meas)",
"value": 1.517
},
{
"type": "R(pim)",
"value": 0.514
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [43.670,8.790],
"number_observations": 8467,
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 44.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}