Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fed4be293a5e6a69ebe31736575d5a4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 145.965,
"b": 161.954,
"c": 245.288,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.590,2.750],
"number_observations": 1141557,
"number_observations_unique": 151127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.750],
"number_observations_unique": 7413,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.068
},
{
"type": "R(meas)",
"value": 2.219
},
{
"type": "R(pim)",
"value": 0.797
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.496
}
]
},
{
"resolution_limits": [49.590,15.060],
"number_observations_unique": 1027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}