Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24a6031c3143e7979534bdbd56d58dde",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.410,
"b": 56.379,
"c": 100.784,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.860,1.820],
"number_observations": 187088,
"number_observations_unique": 28533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 13591,
"number_observations_unique": 2028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.938
},
{
"type": "R(meas)",
"value": 1.016
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [28.860,8.130],
"number_observations": 2265,
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 87.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}