Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9022ddcfcb3c0bb29985e61a70a1f3f",
"space_group_name": "P 1",
"unit_cell": {
"a": 116.947,
"b": 130.042,
"c": 200.580,
"alpha": 86.991,
"beta": 84.830,
"gamma": 83.788
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [199.58,2.89],
"number_observations_unique": 252478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [199.58,15.82],
"number_observations_unique": 5108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 90.6
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.94,2.89],
"number_observations_unique": 12811,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.514
},
{
"type": "R(meas)",
"value": 2.141
},
{
"type": "R(pim)",
"value": 1.514
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.355
}
]
}
]
}