Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "662425c7dae54d59224209a5a580e794",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.77,
"b": 65.44,
"c": 84.51,
"alpha": 90.00,
"beta": 93.68,
"gamma": 90.00
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.030,1.490],
"number_observations": 374640,
"number_observations_unique": 114620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 12950,
"number_observations_unique": 5376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(meas)",
"value": 0.911
},
{
"type": "R(pim)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 59.600
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.454
}
]
},
{
"resolution_limits": [49.030,6.660],
"number_observations": 5023,
"number_observations_unique": 1433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}