Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8b933feb1c2f99343d19698cce51f96",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.309,
"b": 81.748,
"c": 217.950,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [108.970,3.020],
"number_observations": 220750,
"number_observations_unique": 17973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.020],
"number_observations": 34354,
"number_observations_unique": 2582,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.520
},
{
"type": "R(meas)",
"value": 1.581
},
{
"type": "R(pim)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [108.970,9.540],
"number_observations": 7648,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}