Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13efa1c5a095fd38c66b7b9a4f749111",
"space_group_name": "P 31 1 2",
"unit_cell": {
"a": 48.140,
"b": 48.140,
"c": 110.018,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.690,1.996],
"number_observations_unique": 10183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 6022,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.189
},
{
"type": "R(meas)",
"value": 1.260
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
},
{
"resolution_limits": [41.690,8.930],
"number_observations": 1118,
"number_observations_unique": 141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}