Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "896acb092c125498c7625a8cf67c5050",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.320,
"b": 56.330,
"c": 79.783,
"alpha": 90.00,
"beta": 99.77,
"gamma": 90.00
},
"wavelengths": [1.00001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.547,2.507],
"number_observations": 43440,
"number_observations_unique": 13066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.515,2.507],
"number_observations": 447,
"number_observations_unique": 132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.611
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [42.547,11.558],
"number_observations": 478,
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}