Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd41971f38436a4078a21933d0eb05e4",
"space_group_name": "P 1",
"unit_cell": {
"a": 73.815,
"b": 95.575,
"c": 99.646,
"alpha": 89.62,
"beta": 89.85,
"gamma": 75.79
},
"wavelengths": [1.03314],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.320,2.8800],
"number_observations_unique": 52345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.990,2.900],
"number_observations": 18021,
"number_observations_unique": 4614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "R(meas)",
"value": 0.667
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [46.320,11.960],
"number_observations": 2664,
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}