Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b5137cf42d445788f194ada7a9ca594",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.62,
"b": 52.27,
"c": 101.71,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.850,1.530],
"number_observations": 261179,
"number_observations_unique": 40699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.530],
"number_observations": 19579,
"number_observations_unique": 2954,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.535
},
{
"type": "R(meas)",
"value": 1.665
},
{
"type": "R(pim)",
"value": 0.639
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.535
}
]
},
{
"resolution_limits": [50.850,6.840],
"number_observations": 3098,
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 55.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}