Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73d7bb39f77eccfbf6341bc637861396",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.891,
"b": 27.434,
"c": 56.337,
"alpha": 90.00,
"beta": 99.96,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.500,1.150],
"number_observations": 174701,
"number_observations_unique": 30306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 68.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 138,
"number_observations_unique": 128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 5.900
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [55.500,6.300],
"number_observations": 1758,
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 41.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
}
]
}