Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c43d03126fa5bbcdac82d756b17d4f1",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 59.62,
"b": 59.62,
"c": 110.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.440,1.870],
"number_observations": 215463,
"number_observations_unique": 17026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 15987,
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.796
},
{
"type": "R(meas)",
"value": 2.910
},
{
"type": "R(pim)",
"value": 0.798
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [40.440,8.360],
"number_observations": 2583,
"number_observations_unique": 248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}