Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8f564e3c8bb3cc13900ebc93fde93ec2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.523,
"b": 83.909,
"c": 58.981,
"alpha": 90.00,
"beta": 108.21,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.590,1.480],
"number_observations": 423796,
"number_observations_unique": 72937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.480],
"number_observations": 4218,
"number_observations_unique": 1558,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.994
},
{
"type": "R(meas)",
"value": 2.462
},
{
"type": "R(pim)",
"value": 1.416
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 37.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [46.590,8.100],
"number_observations": 3522,
"number_observations_unique": 556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 51.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
}
]
}