Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "796faab7befea57c7d5214897dc80e08",
"space_group_name": "C 2 2 2",
"unit_cell": {
"a": 70.166,
"b": 150.574,
"c": 55.691,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.900,1.750],
"number_observations": 300463,
"number_observations_unique": 30223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 16743,
"number_observations_unique": 1637,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.422
},
{
"type": "R(meas)",
"value": 2.551
},
{
"type": "R(pim)",
"value": 0.795
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.442
}
]
},
{
"resolution_limits": [41.900,9.090],
"number_observations": 2085,
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}