Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b83af2c29d1e96aa425cf9a77f001bc8",
"space_group_name": "P 1",
"unit_cell": {
"a": 50.020,
"b": 54.980,
"c": 63.241,
"alpha": 86.82,
"beta": 69.12,
"gamma": 84.14
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.730,1.750],
"number_observations": 190355,
"number_observations_unique": 55241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 4645,
"number_observations_unique": 1416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "R(meas)",
"value": 0.709
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 40.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [39.730,9.090],
"number_observations": 1654,
"number_observations_unique": 441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}