Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0fe5f700eb913d60fd989d5f608e81a9",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 124.814,
"b": 124.814,
"c": 83.090,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.4430,2.400],
"number_observations_unique": 13080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 15866,
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [28.440,8.980],
"number_observations": 2814,
"number_observations_unique": 282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 98.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}