Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74193bbac20abd0c4b52f2a738115de2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.103,
"b": 57.105,
"c": 115.441,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.100,1.570],
"number_observations": 312952,
"number_observations_unique": 48931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 23461,
"number_observations_unique": 3561,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.535
},
{
"type": "R(meas)",
"value": 1.667
},
{
"type": "R(pim)",
"value": 0.643
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [52.100,7.020],
"number_observations": 3949,
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 68.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}