Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "720eb420802cacd8ae84f4526e8d158b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.56,
"b": 77.92,
"c": 99.73,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.000,1.830],
"number_observations": 175823,
"number_observations_unique": 27314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.830],
"number_observations": 12880,
"number_observations_unique": 1952,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.659
},
{
"type": "R(meas)",
"value": 1.800
},
{
"type": "R(pim)",
"value": 0.692
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.512
}
]
},
{
"resolution_limits": [42.000,8.180],
"number_observations": 2100,
"number_observations_unique": 373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 41.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}