Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f1ea15a59cb5b7d6b2f39f0aa974cd0",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.415,
"b": 74.449,
"c": 109.400,
"alpha": 84.659,
"beta": 80.028,
"gamma": 82.769
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.0,2.03],
"number_observations_unique": 79347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [45.0,4.37],
"number_observations_unique": 8647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.10,2.03],
"number_observations_unique": 5321,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.105
},
{
"type": "R(meas)",
"value": 1.378
},
{
"type": "R(pim)",
"value": 0.810
},
{
"type": "I/SigI",
"value": 0.1
},
{
"type": "Completeness",
"value": 60.7
},
{
"type": "Redundancy",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.390
}
]
}
]
}