Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e4352e21ac5898c95de59226dd51938",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.361,
"b": 78.011,
"c": 47.994,
"alpha": 90.000,
"beta": 98.226,
"gamma": 90.000
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.50,1.70],
"number_observations_unique": 30881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 71.7
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 65.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [47.50,9.00],
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 175.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 56.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 1369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 83.5
},
{
"type": "Redundancy",
"value": 42.1
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}