Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1fcb5180f7e7fea8395f7c8d9750dc60",
"space_group_name": "P 1",
"unit_cell": {
"a": 71.87,
"b": 96.36,
"c": 98.07,
"alpha": 80.44,
"beta": 77.96,
"gamma": 81.11
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.990,1.760],
"number_observations_unique": 230857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 11218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 90.8
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [36.990,9.660],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 52.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}