Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c459e2a363697911b14ab7eddecf7e4",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 75.928,
"b": 75.928,
"c": 35.707,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.71075],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.960,1.750],
"number_observations_unique": 10988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 20.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 4113,
"number_observations_unique": 556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [37.960,9.090],
"number_observations": 2236,
"number_observations_unique": 110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 20.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}