Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e50e7201e3ab98ecff2c839ebf79b27",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.791,
"b": 88.791,
"c": 39.626,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.400,1.000],
"number_observations": 1056814,
"number_observations_unique": 166031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 34299,
"number_observations_unique": 7733,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.733
},
{
"type": "R(meas)",
"value": 1.965
},
{
"type": "R(pim)",
"value": 0.906
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.476
}
]
},
{
"resolution_limits": [44.400,5.480],
"number_observations": 7500,
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}