Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e5625f0a041ba207bc4aa86eed8bf38",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.235,
"b": 46.904,
"c": 46.518,
"alpha": 90.00,
"beta": 103.43,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.900,1.590],
"number_observations": 46365,
"number_observations_unique": 14162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 2019,
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.401
},
{
"type": "R(pim)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [46.900,8.710],
"number_observations": 316,
"number_observations_unique": 99,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}