Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6726f1afb2a0025c5eda030b12ad7e41",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 124.937,
"b": 124.937,
"c": 127.288,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [127.29,2.61],
"number_observations_unique": 31317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 28.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [127.29,9.04],
"number_observations_unique": 879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.73,2.61],
"number_observations_unique": 3757,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.455
},
{
"type": "R(meas)",
"value": 3.572
},
{
"type": "R(pim)",
"value": 0.907
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 29.6
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
}
]
}