Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "169e853dd87bac8b631ba9f5433730d5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 83.853,
"b": 79.152,
"c": 150.959,
"alpha": 90.0,
"beta": 94.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.791,2.850],
"number_observations_unique": 46348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "R(pim)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.850],
"number_observations": 17133,
"number_observations_unique": 4506,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.509
},
{
"type": "R(meas)",
"value": 1.757
},
{
"type": "R(pim)",
"value": 0.896
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [46.790,11.040],
"number_observations": 2954,
"number_observations_unique": 848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}