Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2942a4e4c4ae9387d161b92b0c9cb9f8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.78,
"b": 68.22,
"c": 57.13,
"alpha": 90.00,
"beta": 92.75,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.720,1.450],
"number_observations": 212335,
"number_observations_unique": 72439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 10503,
"number_observations_unique": 5257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "R(meas)",
"value": 0.948
},
{
"type": "R(pim)",
"value": 0.609
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.540
}
]
},
{
"resolution_limits": [53.720,6.480],
"number_observations": 2760,
"number_observations_unique": 865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}