Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "987002be10f299e36fe72b859d5ba6e1",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 98.911,
"b": 98.911,
"c": 215.312,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.590,1.900],
"number_observations": 705211,
"number_observations_unique": 96767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 33042,
"number_observations_unique": 4666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.965
},
{
"type": "R(meas)",
"value": 1.041
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [79.590,10.410],
"number_observations": 4248,
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 54.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}