Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "326ae5f7881a6015be04091673bf9c71",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.877,
"b": 78.877,
"c": 36.960,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.130,1.470],
"number_observations_unique": 20426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 84.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 50.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.470],
"number_observations": 24175,
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 26.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [19.130,8.040],
"number_observations": 6059,
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.004
},
{
"type": "I/SigI",
"value": 138.400
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 39.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}