Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a3d1b81d347003b3743e9bebf0ef163",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 77.663,
"b": 77.663,
"c": 101.116,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.260,1.90],
"number_observations_unique": 27116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 25.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.970],
"number_observations": 38643,
"number_observations_unique": 1559,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.570
},
{
"type": "R(meas)",
"value": 1.603
},
{
"type": "R(pim)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 24.800
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [48.250,8.830],
"number_observations": 6115,
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 89.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}