Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5093fe798bddc78af634f5a53bbbbf9e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.904,
"b": 86.682,
"c": 125.827,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.570,1.690],
"number_observations": 374089,
"number_observations_unique": 57243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 26732,
"number_observations_unique": 4085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.780
},
{
"type": "R(meas)",
"value": 0.847
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
},
{
"resolution_limits": [29.570,7.550],
"number_observations": 4471,
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 57.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}