Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a1faedeae9d43d35cdc0879915fdc9c",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 70.738,
"b": 70.738,
"c": 179.462,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.73,1.900],
"number_observations_unique": 34801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 9819,
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.947
},
{
"type": "R(meas)",
"value": 1.074
},
{
"type": "R(pim)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [43.690,9.110],
"number_observations": 1331,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}