Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bccc4c81adfe3f54998717765699b197",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.468,
"b": 95.315,
"c": 69.682,
"alpha": 90.00,
"beta": 105.39,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.240,1.650],
"number_observations": 435598,
"number_observations_unique": 94133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 21390,
"number_observations_unique": 4649,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.544
},
{
"type": "R(meas)",
"value": 1.744
},
{
"type": "R(pim)",
"value": 0.795
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [40.240,9.040],
"number_observations": 2876,
"number_observations_unique": 606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}