Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42457f4ab46c9800e13a95fbe6580cf2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.588,
"b": 73.208,
"c": 94.818,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.454,1.89],
"number_observations_unique": 26163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 35.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.2
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [47.41,9.06],
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Redundancy",
"value": 20.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.93,1.89],
"number_observations_unique": 1647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "Redundancy",
"value": 26.0
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}