Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6aaf942eee815b1ecca1dbb841a2f2e3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 98.692,
"b": 119.993,
"c": 329.788,
"alpha": 90.00,
"beta": 93.76,
"gamma": 90.00
},
"wavelengths": [1.00915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.980,3.600],
"number_observations": 620636,
"number_observations_unique": 89730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.690,3.600],
"number_observations": 46750,
"number_observations_unique": 6579,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.197
},
{
"type": "R(meas)",
"value": 1.294
},
{
"type": "R(pim)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [75.980,16.100],
"number_observations": 7006,
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}