Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc0ce51ea47a8b6b6bfe31766f55c821",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 82.509,
"b": 76.992,
"c": 134.389,
"alpha": 90.00,
"beta": 105.06,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.4640,2.190],
"number_observations_unique": 41932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.190],
"number_observations": 25499,
"number_observations_unique": 3627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.979
},
{
"type": "R(meas)",
"value": 1.056
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [46.460,9.030],
"number_observations": 4156,
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}