Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f526f9044bad0b922b9dfdbbd34ccc4",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 49.069,
"b": 49.069,
"c": 129.992,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.070,1.850],
"number_observations_unique": 14360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.850],
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.800
},
{
"type": "R(meas)",
"value": 0.875
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [49.070,7.170],
"number_observations_unique": 322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}