Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ed12d8414f612af76a9921aa558e942",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.201,
"b": 156.816,
"c": 157.766,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.620,2.400],
"number_observations_unique": 45858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.400],
"number_observations": 46856,
"number_observations_unique": 6738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "R(meas)",
"value": 0.730
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [49.620,7.590],
"number_observations": 9613,
"number_observations_unique": 1663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 59.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}