Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31a9336fc0bb0d496dbf5f236cc3121c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.256,
"b": 96.966,
"c": 57.944,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.970,1.680],
"number_observations": 167771,
"number_observations_unique": 26423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 4226,
"number_observations_unique": 1001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.813
},
{
"type": "R(meas)",
"value": 0.913
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 73.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [28.970,9.030],
"number_observations": 1243,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}