Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "da0f58ee3ac6bb3142a6025cf2e9b597",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.663,
"b": 88.663,
"c": 39.269,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.330,1.000],
"number_observations": 1055152,
"number_observations_unique": 164385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 36127,
"number_observations_unique": 7737,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.980
},
{
"type": "R(meas)",
"value": 2.232
},
{
"type": "R(pim)",
"value": 1.009
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.402
}
]
},
{
"resolution_limits": [44.330,5.480],
"number_observations": 7530,
"number_observations_unique": 1084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}