Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8f1fc43636321feadf722576f2f9a54",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 124.4,
"b": 124.4,
"c": 41.1,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.910,1.520],
"number_observations": 565612,
"number_observations_unique": 56252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 41633,
"number_observations_unique": 4129,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.859
},
{
"type": "R(meas)",
"value": 1.958
},
{
"type": "R(pim)",
"value": 0.610
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
},
{
"resolution_limits": [35.910,6.800],
"number_observations": 6394,
"number_observations_unique": 681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 49.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}