Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "04fd9901a931861a6acb418627b4fcfa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.020,
"b": 102.247,
"c": 146.939,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.980,1.900],
"number_observations": 343800,
"number_observations_unique": 53007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 21942,
"number_observations_unique": 3470,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.061
},
{
"type": "R(meas)",
"value": 2.247
},
{
"type": "R(pim)",
"value": 0.885
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.403
}
]
},
{
"resolution_limits": [48.980,8.930],
"number_observations": 3568,
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 54.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}