Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d6703e9e4fc7afb3dea9a982ed8b93b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.622,
"b": 56.569,
"c": 102.172,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.180,1.900],
"number_observations": 172024,
"number_observations_unique": 26008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 12604,
"number_observations_unique": 1879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.831
},
{
"type": "R(meas)",
"value": 0.900
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [29.180,8.490],
"number_observations": 2088,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}