Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4fc750906946c6f9fee0f1e65bdf54c2",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 57.952,
"b": 57.952,
"c": 100.790,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [3.00000,3.90000,1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15,2.00],
"number_observations_unique": 12464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 25.2
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.06,2.00],
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [2.53,2.40],
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 36.9
},
{
"type": "Redundancy",
"value": 2.2
}
]
}
]
}