Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a019d7e864ae8cbb91edee17556e4299",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.755,
"b": 57.239,
"c": 59.069,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54170],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.110,1.900],
"number_observations": 89481,
"number_observations_unique": 13028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 5013,
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.510
},
{
"type": "R(meas)",
"value": 1.652
},
{
"type": "R(pim)",
"value": 0.658
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [41.110,9.110],
"number_observations": 756,
"number_observations_unique": 149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.900
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}