Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e5e2d97cee448d7a58fb4c68ecc1e02a",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.28,
"b": 83.28,
"c": 133.74,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.920,2.840],
"number_observations": 257685,
"number_observations_unique": 13185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.840],
"number_observations": 19430,
"number_observations_unique": 954,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.404
},
{
"type": "R(meas)",
"value": 1.440
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.400
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [37.920,12.700],
"number_observations": 1941,
"number_observations_unique": 173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 47.300
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}