Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33f0a0d7a251de9d83fd72bc27105271",
"space_group_name": "P 1",
"unit_cell": {
"a": 37.904,
"b": 68.443,
"c": 71.952,
"alpha": 115.12,
"beta": 103.17,
"gamma": 93.96
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.248,1.140],
"number_observations_unique": 159748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 69.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 680,
"number_observations_unique": 296,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.225
},
{
"type": "R(meas)",
"value": 3.912
},
{
"type": "R(pim)",
"value": 2.179
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 2.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.131
}
]
},
{
"resolution_limits": [36.250,6.230],
"number_observations": 9902,
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}