Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86bcac4ac74d01edcfd6c12ca840bcdc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.097,
"b": 111.945,
"c": 62.569,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.971,1.750],
"number_observations_unique": 26997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 4576,
"number_observations_unique": 888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 56.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [33.970,9.090],
"number_observations": 1267,
"number_observations_unique": 248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 37.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}