Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a066192965db09367f899d90293ab2c3",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.970,
"b": 112.536,
"c": 62.657,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.750,1.800],
"number_observations": 139423,
"number_observations_unique": 26941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 5383,
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.791
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [41.750,8.980],
"number_observations": 1148,
"number_observations_unique": 261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}