Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e51fc295572b1ee144663e64dc2bfb6a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.521,
"b": 74.996,
"c": 74.614,
"alpha": 90.00,
"beta": 95.49,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.62,1.75],
"number_observations_unique": 73948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [47.62,9.09],
"number_observations_unique": 549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 46.9
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.78,1.75],
"number_observations_unique": 4061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.955
},
{
"type": "R(meas)",
"value": 1.299
},
{
"type": "R(pim)",
"value": 0.875
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
}
]
}