Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fac49eba8abb752d25b117ff27fa29f6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.13,
"b": 51.79,
"c": 79.96,
"alpha": 90.00,
"beta": 92.27,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.460,1.6550],
"number_observations_unique": 38747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.660],
"number_observations": 9012,
"number_observations_unique": 1774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.930
},
{
"type": "R(meas)",
"value": 1.034
},
{
"type": "R(pim)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [43.460,9.060],
"number_observations": 1578,
"number_observations_unique": 262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}