Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acdebf7bb5e68ab8e358be6b38f35a30",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 138.828,
"b": 138.828,
"c": 138.828,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.51,2.000],
"number_observations_unique": 56976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 19.7
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.057,2.000],
"number_observations_unique": 2864,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.033
},
{
"type": "R(meas)",
"value": 2.143
},
{
"type": "R(pim)",
"value": 0.676
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 60.1
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [69.414,5.626],
"number_observations_unique": 2852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.3
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}