Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "734562f3bf6e5bfb35a19086694c187c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.12,
"b": 56.52,
"c": 101.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.940,1.890],
"number_observations": 175098,
"number_observations_unique": 26438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 13345,
"number_observations_unique": 1949,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.024
},
{
"type": "R(meas)",
"value": 1.108
},
{
"type": "R(pim)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [50.940,8.450],
"number_observations": 2158,
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 53.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}