Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e5e68eec22186dab01c0339c95ea8e7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.90,
"b": 56.82,
"c": 115.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.510,1.620],
"number_observations": 271233,
"number_observations_unique": 44052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 21206,
"number_observations_unique": 3187,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.798
},
{
"type": "R(meas)",
"value": 1.951
},
{
"type": "R(pim)",
"value": 0.753
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [57.510,7.240],
"number_observations": 3550,
"number_observations_unique": 590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 37.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}