Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "790dd2b4a6a88c4173138bd1909981b2",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 33.349,
"b": 92.398,
"c": 133.626,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.200,2.800],
"number_observations": 68091,
"number_observations_unique": 10825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 9268,
"number_observations_unique": 1486,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.042
},
{
"type": "R(pim)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [46.200,8.840],
"number_observations": 2132,
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}