Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ba6b16e5463118328a621c0e15d02a0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.861,
"b": 53.403,
"c": 44.779,
"alpha": 90.00,
"beta": 101.86,
"gamma": 90.00
},
"wavelengths": [0.97718],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.240,1.760],
"number_observations": 83163,
"number_observations_unique": 25356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.760],
"number_observations": 13047,
"number_observations_unique": 3819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [48.240,5.560],
"number_observations": 2984,
"number_observations_unique": 874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}