Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fbed030a23451af8d663b5ed1865322c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.561,
"b": 67.790,
"c": 138.482,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.250,1.830],
"number_observations": 386680,
"number_observations_unique": 57026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.830],
"number_observations": 23386,
"number_observations_unique": 3351,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.090
},
{
"type": "R(meas)",
"value": 4.418
},
{
"type": "R(pim)",
"value": 1.659
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.243
}
]
},
{
"resolution_limits": [69.250,8.950],
"number_observations": 3253,
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 50.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
}
]
}