Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f54928960bfecf5ecd6683e34777f3b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 125.591,
"b": 203.221,
"c": 207.404,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.73964],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.350,2.250],
"number_observations": 1749112,
"number_observations_unique": 250626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.250],
"number_observations": 82873,
"number_observations_unique": 12354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.967
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [49.350,12.320],
"number_observations": 11332,
"number_observations_unique": 1693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}