Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e8ed23ac9a393fe3a7397246c7dbcae",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.55,
"b": 56.33,
"c": 101.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.2750,1.750],
"number_observations": 217844,
"number_observations_unique": 32740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 16760,
"number_observations_unique": 2414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "R(meas)",
"value": 0.828
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [49.280,7.830],
"number_observations": 2642,
"number_observations_unique": 437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 74.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}