Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a9971f4b0bec4cfaacb875f9bd83ba6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.454,
"b": 52.080,
"c": 53.325,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.230,1.380],
"number_observations": 263623,
"number_observations_unique": 27852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.380],
"number_observations": 9099,
"number_observations_unique": 1275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(meas)",
"value": 0.736
},
{
"type": "R(pim)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [24.230,7.580],
"number_observations": 1581,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}