Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4bf0fa1f45dce2d49c06548f85017497",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.09,
"b": 89.87,
"c": 97.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.880,1.920],
"number_observations": 207320,
"number_observations_unique": 33062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 13888,
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.236
},
{
"type": "R(meas)",
"value": 1.348
},
{
"type": "R(pim)",
"value": 0.533
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.369
}
]
},
{
"resolution_limits": [38.880,9.010],
"number_observations": 2032,
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}