Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10666eefa3c221a42f9b7a668247e6c7",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 40.334,
"b": 81.246,
"c": 233.359,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.620,2.300],
"number_observations": 95262,
"number_observations_unique": 17576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.300],
"number_observations": 9542,
"number_observations_unique": 1841,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.058
},
{
"type": "R(meas)",
"value": 1.177
},
{
"type": "R(pim)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [40.620,8.610],
"number_observations": 1751,
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}