Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8ce8cf7785a5ca0e36a498485b94b83",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.29,
"b": 57.32,
"c": 90.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.290,1.410],
"number_observations": 340217,
"number_observations_unique": 48052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.410],
"number_observations": 18925,
"number_observations_unique": 3332,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.485
},
{
"type": "R(meas)",
"value": 1.635
},
{
"type": "R(pim)",
"value": 0.667
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.473
}
]
},
{
"resolution_limits": [47.290,6.310],
"number_observations": 3872,
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 55.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}