Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8ea8860c5195cc9b3cbffb86e1ea021",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.235,
"b": 46.896,
"c": 46.531,
"alpha": 90.00,
"beta": 103.33,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.900,1.560],
"number_observations": 49836,
"number_observations_unique": 15579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.560],
"number_observations": 1710,
"number_observations_unique": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [46.900,8.550],
"number_observations": 339,
"number_observations_unique": 105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}