Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a38d905c7e8cb9771e21b0034b50fe8",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 71.038,
"b": 125.017,
"c": 29.941,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.030,1.680],
"number_observations": 197150,
"number_observations_unique": 31467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.680],
"number_observations": 39807,
"number_observations_unique": 6349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [27.030,4.440],
"number_observations": 10441,
"number_observations_unique": 1869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 94.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}