Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e773e738e3a6439f0aeeb01608c3c58",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 38.473,
"b": 38.473,
"c": 90.783,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91983],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.39,2.6],
"number_observations_unique": 2401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 26.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 22.5
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [2.72,2.60],
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.902
},
{
"type": "R(meas)",
"value": 2.962
},
{
"type": "R(pim)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 24.3
},
{
"type": "CC(1/2)",
"value": 0.433
}
]
},
{
"resolution_limits": [45.39,9.01],
"number_observations_unique": 84,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 56.6
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 16.5
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
}
]
}