Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "402b23b7b9c32a2a655d14094e1a792b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.004,
"b": 81.749,
"c": 226.099,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.880,2.6270],
"number_observations_unique": 28093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.630],
"number_observations": 38420,
"number_observations_unique": 4006,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.026
},
{
"type": "R(meas)",
"value": 1.084
},
{
"type": "R(pim)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [76.880,8.310],
"number_observations": 8213,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 36.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}