Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf74e52d7aa85fb9a6ff6f1523cefb11",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 54.438,
"b": 61.775,
"c": 72.234,
"alpha": 90.00,
"beta": 107.54,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.600,1.470],
"number_observations": 143539,
"number_observations_unique": 39045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations": 6994,
"number_observations_unique": 1934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.900
},
{
"type": "R(meas)",
"value": 1.059
},
{
"type": "R(pim)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [34.600,8.050],
"number_observations": 884,
"number_observations_unique": 244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 32.300
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}