Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dac46e366c9570c883eb0bec57bbd24f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.855,
"b": 46.673,
"c": 115.055,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.670,1.500],
"number_observations": 70423,
"number_observations_unique": 37616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 3284,
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.733
}
]
},
{
"resolution_limits": [46.670,8.220],
"number_observations": 441,
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}