Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd9efee9cdfe59936f605b525031edfd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 102.652,
"b": 78.957,
"c": 67.764,
"alpha": 90.00,
"beta": 130.52,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.500,1.000],
"number_observations": 701529,
"number_observations_unique": 217945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.000],
"number_observations": 109969,
"number_observations_unique": 38036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [55.500,2.820],
"number_observations": 31980,
"number_observations_unique": 9847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}