Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7aa968d2ec2973d42cae0ba5f51073a7",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.265,
"b": 67.265,
"c": 164.474,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.540,1.470],
"number_observations": 731044,
"number_observations_unique": 38445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.470],
"number_observations": 67217,
"number_observations_unique": 3666,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.615
},
{
"type": "R(meas)",
"value": 3.718
},
{
"type": "R(pim)",
"value": 0.860
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.424
}
]
},
{
"resolution_limits": [47.540,5.690],
"number_observations": 13308,
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 56.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}