Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7b58b058d29835a868063df69e520cb",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 125.903,
"b": 125.903,
"c": 41.664,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.300,2.270],
"number_observations": 175870,
"number_observations_unique": 17761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.270],
"number_observations": 10601,
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "R(meas)",
"value": 0.735
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [29.300,10.140],
"number_observations": 1964,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 81.100
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}