Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5dec2de3bd8d05da1902163ae0056c08",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.190,
"b": 75.303,
"c": 83.385,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.190,1.300],
"number_observations": 379116,
"number_observations_unique": 40092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 18213,
"number_observations_unique": 2944,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.272
},
{
"type": "R(meas)",
"value": 4.670
},
{
"type": "R(pim)",
"value": 1.871
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.415
}
]
},
{
"resolution_limits": [38.190,7.120],
"number_observations": 2544,
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}