Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c41c4459efe2e63a7875bf2698b16f6d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.89,
"b": 93.95,
"c": 93.27,
"alpha": 90.00,
"beta": 108.05,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.490,1.730],
"number_observations": 336950,
"number_observations_unique": 97929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.730],
"number_observations": 22007,
"number_observations_unique": 7100,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.119
},
{
"type": "R(meas)",
"value": 1.354
},
{
"type": "R(pim)",
"value": 0.751
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [47.490,7.740],
"number_observations": 4099,
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 56.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}