Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9ddd082bf4e6646809a0151c71e91c0c",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.847,
"b": 88.847,
"c": 39.555,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.420,0.970],
"number_observations": 1101538,
"number_observations_unique": 181123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 26111,
"number_observations_unique": 8041,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.468
},
{
"type": "R(meas)",
"value": 1.743
},
{
"type": "R(pim)",
"value": 0.911
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.369
}
]
},
{
"resolution_limits": [44.420,5.310],
"number_observations": 8242,
"number_observations_unique": 1207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}