Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6e14e114c51be73c47d26fbfc342b03",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.681,
"b": 86.141,
"c": 72.339,
"alpha": 90.00,
"beta": 100.86,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.150,1.600],
"number_observations": 379830,
"number_observations_unique": 101931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 18350,
"number_observations_unique": 4994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(pim)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [27.150,8.760],
"number_observations": 1760,
"number_observations_unique": 534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 81.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}