Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96500ccbf3bfa87d6c9b746bbb7ff34f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.569,
"b": 77.517,
"c": 99.762,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.760,1.660],
"number_observations": 224686,
"number_observations_unique": 36245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.660],
"number_observations": 13694,
"number_observations_unique": 2626,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.537
},
{
"type": "R(meas)",
"value": 1.712
},
{
"type": "R(pim)",
"value": 0.744
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [99.760,7.420],
"number_observations": 2704,
"number_observations_unique": 489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
}
]
}