Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd2c213f756fabeb45848f6184235407",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 40.286,
"b": 40.286,
"c": 82.092,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.170,1.600],
"number_observations": 117543,
"number_observations_unique": 9487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 5495,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [36.170,8.770],
"number_observations": 755,
"number_observations_unique": 88,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 86.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}