Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8005ac87bfcc7423669f4ddd549a89b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.556,
"b": 56.610,
"c": 101.925,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.130,1.620],
"number_observations": 272566,
"number_observations_unique": 41612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 16676,
"number_observations_unique": 2975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.843
},
{
"type": "R(meas)",
"value": 0.930
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [29.130,7.240],
"number_observations": 3257,
"number_observations_unique": 540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 88.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}