Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d120d25c19941cef61ab31b48205496",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.232,
"b": 89.892,
"c": 59.317,
"alpha": 90.00,
"beta": 95.94,
"gamma": 90.00
},
"wavelengths": [0.95366],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.950,1.600],
"number_observations": 339287,
"number_observations_unique": 58074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 13412,
"number_observations_unique": 2618,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.446
},
{
"type": "R(meas)",
"value": 1.609
},
{
"type": "R(pim)",
"value": 0.694
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.393
}
]
},
{
"resolution_limits": [44.950,8.760],
"number_observations": 1910,
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 41.800
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}