Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9b54456219b0c27970b447f8d43c3d0",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 118.620,
"b": 118.620,
"c": 62.443,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03326],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [102.730,2.040],
"number_observations": 317358,
"number_observations_unique": 32348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.040],
"number_observations": 21102,
"number_observations_unique": 2328,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.392
},
{
"type": "R(meas)",
"value": 1.477
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [102.730,9.120],
"number_observations": 3637,
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 55.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}