Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5887335f54e04f622fa022fffbcdf3f2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.535,
"b": 87.568,
"c": 89.200,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.53,1.49],
"number_observations_unique": 63886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [49.53,8.16],
"number_observations_unique": 472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.52,1.49],
"number_observations_unique": 3095,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.233
},
{
"type": "R(meas)",
"value": 1.338
},
{
"type": "R(pim)",
"value": 0.516
},
{
"type": "Redundancy",
"value": 12.7
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
}
]
}