Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2efa6c8582481e5acf19ce9102f1bdb1",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 57.606,
"b": 57.606,
"c": 152.414,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.37760],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.890,1.690],
"number_observations": 814983,
"number_observations_unique": 29732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.690],
"number_observations": 116971,
"number_observations_unique": 4236,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.638
},
{
"type": "R(meas)",
"value": 1.669
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.600
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [53.890,5.350],
"number_observations": 24572,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 48.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 22.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}