Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9df949f5335183c88514592881a0a9f4",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.90,
"b": 89.38,
"c": 100.00,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.740,1.640],
"number_observations": 457792,
"number_observations_unique": 36534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 28581,
"number_observations_unique": 2682,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.655
},
{
"type": "R(meas)",
"value": 1.740
},
{
"type": "R(pim)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.529
}
]
},
{
"resolution_limits": [29.740,7.330],
"number_observations": 4467,
"number_observations_unique": 458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}