Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b12e3ddfcf31e145833caf7864efefb6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.134,
"b": 41.697,
"c": 72.375,
"alpha": 90.00,
"beta": 103.84,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.860,1.380],
"number_observations": 154709,
"number_observations_unique": 46709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.380],
"number_observations": 2992,
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "R(meas)",
"value": 0.866
},
{
"type": "R(pim)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 50.300
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [35.860,7.590],
"number_observations": 1088,
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 57.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}