Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "897fd72cabf2b7d5d81a043eb65e72a0",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 86.745,
"b": 86.745,
"c": 330.858,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.290,2.920],
"number_observations": 44513,
"number_observations_unique": 10755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,2.920],
"number_observations": 6606,
"number_observations_unique": 1536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "R(pim)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [110.290,9.240],
"number_observations": 1200,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}