Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86aadc80ac2ed9d5babf248e0aa96b9e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.423,
"b": 27.440,
"c": 38.354,
"alpha": 90.00,
"beta": 96.33,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.120,1.180],
"number_observations": 101202,
"number_observations_unique": 36487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.240,1.180],
"number_observations": 7770,
"number_observations_unique": 4281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [38.120,3.720],
"number_observations": 4041,
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 57.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}