Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f068633b920d0c5627757797534a83e2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 101.508,
"b": 90.528,
"c": 140.093,
"alpha": 90.00,
"beta": 108.84,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.030,2.000],
"number_observations": 666117,
"number_observations_unique": 159033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations": 33091,
"number_observations_unique": 7747,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.961
},
{
"type": "R(meas)",
"value": 2.243
},
{
"type": "R(pim)",
"value": 1.077
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.373
}
]
},
{
"resolution_limits": [48.030,10.950],
"number_observations": 3928,
"number_observations_unique": 1025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}