Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "011619b75f40d22d399b06f76c3a0968",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.981,
"b": 94.122,
"c": 117.315,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.860,1.070],
"number_observations": 1748608,
"number_observations_unique": 153643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.090,1.070],
"number_observations": 22006,
"number_observations_unique": 4283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "R(meas)",
"value": 0.635
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 52.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [19.860,5.860],
"number_observations": 13687,
"number_observations_unique": 1085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 51.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}