Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "81a7b22227d0f7f6a3d05bf991cf75fd",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 106.21,
"b": 106.21,
"c": 313.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.60000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.930,3.550],
"number_observations_unique": 20329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.830,3.550],
"number_observations": 43827,
"number_observations_unique": 3838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.843
},
{
"type": "R(meas)",
"value": 0.879
},
{
"type": "R(pim)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [87.930,9.390],
"number_observations": 16894,
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}