Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c39819f4017f3156e12196ddc139c14",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 58.673,
"b": 71.350,
"c": 98.593,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.320,2.520],
"number_observations": 144823,
"number_observations_unique": 14581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.520],
"number_observations": 16773,
"number_observations_unique": 1613,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.186
},
{
"type": "R(meas)",
"value": 3.353
},
{
"type": "R(pim)",
"value": 1.035
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.391
}
]
},
{
"resolution_limits": [45.320,9.090],
"number_observations": 3234,
"number_observations_unique": 365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 34.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}