Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a45f11d7a8e26f205f432cf19c940a86",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.64,
"b": 67.64,
"c": 166.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.950,1.750],
"number_observations": 214723,
"number_observations_unique": 23675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 11920,
"number_observations_unique": 1279,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.214
},
{
"type": "R(meas)",
"value": 2.341
},
{
"type": "R(pim)",
"value": 0.753
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.571
}
]
},
{
"resolution_limits": [33.950,9.090],
"number_observations": 1492,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}