Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f22ea2becc4e8e5c3f1929ff84e3a46",
"space_group_name": "P 1",
"unit_cell": {
"a": 38.153,
"b": 55.541,
"c": 101.080,
"alpha": 88.02,
"beta": 81.46,
"gamma": 84.94
},
"wavelengths": [0.97242],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.850,1.970],
"number_observations": 222658,
"number_observations_unique": 55783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 10142,
"number_observations_unique": 3147,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.776
},
{
"type": "R(meas)",
"value": 6.922
},
{
"type": "R(pim)",
"value": 3.728
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.074
}
]
},
{
"resolution_limits": [48.850,9.050],
"number_observations": 2340,
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}