Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85035db395ca57d2c733a7b47444a390",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.794,
"b": 80.841,
"c": 55.716,
"alpha": 90.00,
"beta": 107.79,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.370,1.910],
"number_observations": 222666,
"number_observations_unique": 32669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.910],
"number_observations": 13971,
"number_observations_unique": 2173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "R(meas)",
"value": 0.680
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [48.370,8.960],
"number_observations": 2257,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}