Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84281c13ddaad7ed4cfd045c68a0c683",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 164.364,
"b": 88.298,
"c": 116.914,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [95.270,1.750],
"number_observations": 957039,
"number_observations_unique": 170953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 46882,
"number_observations_unique": 8398,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.832
},
{
"type": "R(meas)",
"value": 2.023
},
{
"type": "R(pim)",
"value": 0.847
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.454
}
]
},
{
"resolution_limits": [95.270,9.590],
"number_observations": 5981,
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}