Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "46594f3d296ed9edd0f2a077dbb0d938",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.477,
"b": 83.574,
"c": 58.932,
"alpha": 90.00,
"beta": 108.39,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.470,1.340],
"number_observations": 430529,
"number_observations_unique": 82067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 72.100
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 262,
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "R(meas)",
"value": 1.016
},
{
"type": "R(pim)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 4.600
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.214
}
]
},
{
"resolution_limits": [46.470,7.350],
"number_observations": 4687,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 96.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
}
]
}