Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa4e50c54a875b53129984bcf9ad50f0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.332,
"b": 83.690,
"c": 147.401,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.370,1.830],
"number_observations": 461327,
"number_observations_unique": 86925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.830],
"number_observations": 24229,
"number_observations_unique": 4407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.671
},
{
"type": "R(meas)",
"value": 0.739
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [45.370,9.850],
"number_observations": 2855,
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}