Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a80af6c9874caf14e2760832b87e8f27",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 126.530,
"b": 138.991,
"c": 472.997,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.446,2.331],
"number_observations": 3461898,
"number_observations_unique": 177123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.371,2.331],
"number_observations": 178726,
"number_observations_unique": 8754,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.192
},
{
"type": "R(meas)",
"value": 1.223
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.400
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [48.446,6.323],
"number_observations": 163532,
"number_observations_unique": 9289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}