Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d83089d88e0f7dfadb0d27f6d6d9bd94",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 110.679,
"b": 93.348,
"c": 187.853,
"alpha": 90.00,
"beta": 94.95,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.290,1.960],
"number_observations": 951567,
"number_observations_unique": 271688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.960],
"number_observations": 44639,
"number_observations_unique": 13478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.574
},
{
"type": "R(pim)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [48.290,10.740],
"number_observations": 6272,
"number_observations_unique": 1722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}