Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41b36da09376d888b9c8facadca82772",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 83.861,
"b": 63.689,
"c": 100.060,
"alpha": 90.000,
"beta": 114.352,
"gamma": 90.000
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.263,1.90],
"number_observations_unique": 37997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
"refln_shells": [
{
"resolution_limits": [52.21,9.11],
"number_observations_unique": 1580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 9854,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.056
},
{
"type": "R(meas)",
"value": 1.415
},
{
"type": "R(pim)",
"value": 0.933
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
}
]
}