Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9b43a46af350d3734b9eab127efa522",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.816,
"b": 41.575,
"c": 72.117,
"alpha": 90.00,
"beta": 103.76,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.750,1.388],
"number_observations_unique": 46399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.388],
"number_observations": 3530,
"number_observations_unique": 1499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 62.600
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [35.750,7.600],
"number_observations": 1071,
"number_observations_unique": 322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 52.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}