Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24557555eb415304c7d99d34ebed672a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.439,
"b": 56.605,
"c": 101.746,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.8900,1.690],
"number_observations": 216263,
"number_observations_unique": 36527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.690],
"number_observations": 32607,
"number_observations_unique": 5825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "R(meas)",
"value": 0.597
},
{
"type": "R(pim)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [56.600,5.070],
"number_observations": 9968,
"number_observations_unique": 1507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 54.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}