Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "635e3299a97793b047d04a88ced30c7e",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.70,
"b": 91.72,
"c": 98.99,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.240,2.350],
"number_observations": 168608,
"number_observations_unique": 13175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations": 12345,
"number_observations_unique": 957,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.811
},
{
"type": "R(meas)",
"value": 1.885
},
{
"type": "R(pim)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [30.240,10.510],
"number_observations": 1320,
"number_observations_unique": 168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}