Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30c3d44a7be7fe4d769a24c92cfe515a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.13,
"b": 66.44,
"c": 57.99,
"alpha": 90.00,
"beta": 93.81,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.440,1.800],
"number_observations": 92992,
"number_observations_unique": 31438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 2288,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.564
},
{
"type": "R(meas)",
"value": 1.903
},
{
"type": "R(pim)",
"value": 1.071
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.102
}
]
},
{
"resolution_limits": [66.440,8.050],
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}