Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c668fc4e8589a445f2f54bdd9fe3b50",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 71.140,
"b": 71.140,
"c": 186.911,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.140,2.250],
"number_observations_unique": 23731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 48104,
"number_observations_unique": 2117,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.704
},
{
"type": "R(meas)",
"value": 3.788
},
{
"type": "R(pim)",
"value": 0.788
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.700
},
{
"type": "CC(1/2)",
"value": 0.426
}
]
},
{
"resolution_limits": [39.140,9.000],
"number_observations": 8858,
"number_observations_unique": 461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}