Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ce8b8679bda6a221fbbdcadc8800b49",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.143,
"b": 56.431,
"c": 101.628,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.380,1.470],
"number_observations": 323947,
"number_observations_unique": 53067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.470],
"number_observations": 40056,
"number_observations_unique": 6460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "R(meas)",
"value": 0.676
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [21.380,5.090],
"number_observations": 9470,
"number_observations_unique": 1446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 44.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}