Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9fdef93925cba25647f6f89bb0636e1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.626,
"b": 67.900,
"c": 138.488,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.490,1.830],
"number_observations": 388379,
"number_observations_unique": 57269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.830],
"number_observations": 22964,
"number_observations_unique": 3292,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.212
},
{
"type": "R(meas)",
"value": 5.627
},
{
"type": "R(pim)",
"value": 2.109
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.295
}
]
},
{
"resolution_limits": [138.490,8.950],
"number_observations": 3236,
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}