Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4df94f136e59257046af0f2ee4633f1",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.41,
"b": 67.41,
"c": 165.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.810,1.700],
"number_observations": 231940,
"number_observations_unique": 25492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 12366,
"number_observations_unique": 1325,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.643
},
{
"type": "R(meas)",
"value": 1.740
},
{
"type": "R(pim)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.693
}
]
},
{
"resolution_limits": [33.810,9.000],
"number_observations": 1527,
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 46.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}