Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "005139e3e6b35d8ad0492bcdddcf7fb1",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 57.014,
"b": 57.014,
"c": 87.602,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.780,1.650],
"number_observations": 227474,
"number_observations_unique": 18096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 11413,
"number_observations_unique": 888,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.745
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.658
}
]
},
{
"resolution_limits": [47.780,9.040],
"number_observations": 1338,
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 52.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}