Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fcfe60506e83b44da2589e44e739e719",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.417,
"b": 51.428,
"c": 79.415,
"alpha": 90.00,
"beta": 91.87,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.160,1.7880],
"number_observations_unique": 30918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.790],
"number_observations": 11454,
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [43.160,9.120],
"number_observations": 1706,
"number_observations_unique": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}