Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2091d9f278bdc38fd8b5a2c80dd64d1",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 86.40,
"b": 86.40,
"c": 125.57,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.48,1.69],
"number_observations_unique": 60298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [74.48,9.11],
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 90.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 17.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.72,1.69],
"number_observations_unique": 3084,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.738
},
{
"type": "R(meas)",
"value": 3.956
},
{
"type": "R(pim)",
"value": 1.290
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.420
}
]
}
]
}