Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e148602e9029ababa6cfea660ada0a8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.060,
"b": 65.551,
"c": 84.243,
"alpha": 90.00,
"beta": 93.42,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.090,1.500],
"number_observations": 323209,
"number_observations_unique": 116801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 24358,
"number_observations_unique": 14499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.970
},
{
"type": "R(meas)",
"value": 1.286
},
{
"type": "R(pim)",
"value": 0.836
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 82.700
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.358
}
]
},
{
"resolution_limits": [84.090,4.730],
"number_observations": 12994,
"number_observations_unique": 3933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}