Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d10ae91c09d453b9815a00e3631e26d",
"space_group_name": "P 1",
"unit_cell": {
"a": 34.342,
"b": 46.858,
"c": 46.911,
"alpha": 60.06,
"beta": 89.99,
"gamma": 89.97
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.650,1.800],
"number_observations": 78435,
"number_observations_unique": 22741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 4166,
"number_observations_unique": 1294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "R(meas)",
"value": 0.533
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [40.650,9.000],
"number_observations": 578,
"number_observations_unique": 176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}