Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "50f48ffdaa63083db4a8503f68382d2e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.641,
"b": 43.675,
"c": 53.351,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.670,1.260],
"number_observations": 256192,
"number_observations_unique": 26125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.260],
"number_observations": 6409,
"number_observations_unique": 904,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.539
},
{
"type": "R(meas)",
"value": 1.657
},
{
"type": "R(pim)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 69.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.575
}
]
},
{
"resolution_limits": [43.670,6.920],
"number_observations": 2219,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}