Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c28da2b419b6e981851779453a46e5c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.320,
"b": 96.247,
"c": 57.910,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.950,1.860],
"number_observations": 123572,
"number_observations_unique": 19236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 4540,
"number_observations_unique": 906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.979
},
{
"type": "R(meas)",
"value": 1.081
},
{
"type": "R(pim)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 73.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [28.950,8.920],
"number_observations": 1282,
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}