Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ba8f1de4f8362fdef76c129d51135d3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.50,
"b": 45.37,
"c": 83.12,
"alpha": 90.00,
"beta": 102.23,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.930,1.740],
"number_observations": 150328,
"number_observations_unique": 43720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 11399,
"number_observations_unique": 3280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.676
},
{
"type": "R(meas)",
"value": 0.804
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [38.930,7.780],
"number_observations": 1844,
"number_observations_unique": 549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 53.500
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}