Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2472cc1fae709ef4fc8f615158913a96",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.296,
"b": 42.269,
"c": 70.413,
"alpha": 90.00,
"beta": 98.47,
"gamma": 90.00
},
"wavelengths": [1.54000,2.00000,4.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [12.65,1.90],
"number_observations_unique": 30950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1152
},
{
"type": "R(meas)",
"value": 0.1258
},
{
"type": "I/SigI",
"value": 15.24
},
{
"type": "Completeness",
"value": 97.56
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.9,1.9],
"number_observations_unique": 2859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.3443
},
{
"type": "I/SigI",
"value": 4.40
},
{
"type": "Completeness",
"value": 91.75
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.88
}
]
},
{
"resolution_limits": [2.22,2.14],
"number_observations_unique": 1655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.3824
},
{
"type": "I/SigI",
"value": 3.02
},
{
"type": "Completeness",
"value": 74.75
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.363
}
]
}
]
}