Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94888147b27805862eb1800a6bbbc076",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.723,
"b": 56.605,
"c": 101.991,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.140,1.710],
"number_observations": 236554,
"number_observations_unique": 35391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.710],
"number_observations": 17282,
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.871
},
{
"type": "R(meas)",
"value": 0.942
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [29.140,7.640],
"number_observations": 2854,
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 73.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}