Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a67b28f3e7bc5989a235fea83a5e14ab",
"space_group_name": "P 43",
"unit_cell": {
"a": 54.54,
"b": 54.54,
"c": 75.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96871],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.330,1.480],
"number_observations": 241561,
"number_observations_unique": 36704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 17934,
"number_observations_unique": 2698,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.593
},
{
"type": "R(meas)",
"value": 1.729
},
{
"type": "R(pim)",
"value": 0.667
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [34.330,6.620],
"number_observations": 2710,
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 50.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}