Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d9b4a7e0e6ebfcdadf45ed18d86ddbb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.32,
"b": 96.22,
"c": 78.95,
"alpha": 90.00,
"beta": 94.37,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.100,2.500],
"number_observations": 66996,
"number_observations_unique": 24678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 5006,
"number_observations_unique": 2546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.867
},
{
"type": "R(meas)",
"value": 1.135
},
{
"type": "R(pim)",
"value": 0.722
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.392
}
]
},
{
"resolution_limits": [48.100,9.010],
"number_observations": 1313,
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}