Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a422134f64e26a5ab4ea741b197b850",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 145.327,
"b": 161.260,
"c": 244.023,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.430,2.890],
"number_observations_unique": 129623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(meas)",
"value": 0.640
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.890],
"number_observations_unique": 6332,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.374
},
{
"type": "R(meas)",
"value": 6.757
},
{
"type": "R(pim)",
"value": 2.225
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.406
}
]
},
{
"resolution_limits": [49.430,15.810],
"number_observations_unique": 890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}