Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4de281ef833d577ea15aa847f1fa152",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.613,
"b": 107.422,
"c": 67.244,
"alpha": 90.00,
"beta": 90.97,
"gamma": 90.00
},
"wavelengths": [0.95371],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [107.420,1.550],
"number_observations": 907391,
"number_observations_unique": 135686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 44690,
"number_observations_unique": 6656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [107.420,8.490],
"number_observations": 6214,
"number_observations_unique": 871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 53.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}