Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13fd481ad3f99a90bcf40fad0b22639c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 34.426,
"b": 106.791,
"c": 75.870,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.77114],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.670,1.800],
"number_observations_unique": 12670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 33.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 10544,
"number_observations_unique": 487,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.359
},
{
"type": "R(meas)",
"value": 1.392
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 65.100
},
{
"type": "Redundancy",
"value": 21.700
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [43.670,9.000],
"number_observations": 4358,
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 50.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 31.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}