Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8892d060f9cc4dac73037a4bd8821f2e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.97,
"b": 83.97,
"c": 132.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.500,2.840],
"number_observations": 257168,
"number_observations_unique": 13317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.840],
"number_observations": 19824,
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.490
},
{
"type": "R(meas)",
"value": 1.529
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [35.500,12.700],
"number_observations": 2018,
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.900
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}