Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b047861a5cb3af0c49e8a1846f56288",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.29,
"b": 76.78,
"c": 100.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.120,1.740],
"number_observations": 201229,
"number_observations_unique": 30995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 13337,
"number_observations_unique": 2238,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.667
},
{
"type": "R(meas)",
"value": 1.830
},
{
"type": "R(pim)",
"value": 0.742
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.455
}
]
},
{
"resolution_limits": [50.120,7.780],
"number_observations": 2340,
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}