Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e7302d6cc72127ff357704b918e7988",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.55,
"b": 49.92,
"c": 67.38,
"alpha": 90.00,
"beta": 96.03,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.92,1.82],
"number_observations_unique": 23023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [49.92,9.10],
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.86,1.82],
"number_observations_unique": 4918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 1.003
},
{
"type": "R(pim)",
"value": 0.678
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
}
]
}