Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80537bb7266ddcb2e329b74207cdfc1a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.592,
"b": 102.549,
"c": 65.028,
"alpha": 90.00,
"beta": 115.48,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.950,2.000],
"number_observations": 224733,
"number_observations_unique": 49900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 32580,
"number_observations_unique": 7263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.806
},
{
"type": "R(meas)",
"value": 0.918
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [50.950,6.330],
"number_observations": 7207,
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}