Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fcd496899e0844e7818180bcc597b7da",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.74,
"b": 77.41,
"c": 98.77,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.930,1.630],
"number_observations": 236478,
"number_observations_unique": 37884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 14443,
"number_observations_unique": 2758,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.380
},
{
"type": "R(meas)",
"value": 1.536
},
{
"type": "R(pim)",
"value": 0.663
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.455
}
]
},
{
"resolution_limits": [60.930,7.290],
"number_observations": 2801,
"number_observations_unique": 506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}