Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f296e3a1aeefe27eba26cc0be57689b0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.812,
"b": 81.241,
"c": 110.069,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.560,1.850],
"number_observations": 535056,
"number_observations_unique": 39747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 32820,
"number_observations_unique": 2437,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.237
},
{
"type": "R(meas)",
"value": 2.324
},
{
"type": "R(pim)",
"value": 0.627
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [45.560,9.060],
"number_observations": 4745,
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}