Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f7d08ec7444c4b3e2888f5fa30d16f8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.767,
"b": 52.955,
"c": 108.762,
"alpha": 90.00,
"beta": 100.61,
"gamma": 90.00
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [106.900,2.050],
"number_observations": 117234,
"number_observations_unique": 32534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 8098,
"number_observations_unique": 2270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 1.007
},
{
"type": "R(pim)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.577
}
]
},
{
"resolution_limits": [106.900,8.950],
"number_observations": 1452,
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}