Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5d021170af8f9bced77fe06009d1d0d",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 99.902,
"b": 99.902,
"c": 99.902,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.640,1.400],
"number_observations": 1008145,
"number_observations_unique": 32721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 30.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 26118,
"number_observations_unique": 1581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "R(meas)",
"value": 0.987
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.500
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [70.640,7.670],
"number_observations": 6525,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 67.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}