Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd398e23033e6f6542f4c4a314fd1396",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.808,
"b": 43.213,
"c": 79.256,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95397],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.63,1.04],
"number_observations_unique": 56418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 89.5
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [39.63,5.70],
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.06,1.04],
"number_observations_unique": 1296,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.598
},
{
"type": "R(meas)",
"value": 2.044
},
{
"type": "R(pim)",
"value": 1.260
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.403
}
]
}
]
}