Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "745215389a6e5ef93d012146da48c736",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.740,
"b": 45.415,
"c": 83.292,
"alpha": 90.00,
"beta": 102.23,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.440,1.550],
"number_observations": 231376,
"number_observations_unique": 66721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 16054,
"number_observations_unique": 4760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "R(meas)",
"value": 0.863
},
{
"type": "R(pim)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [28.440,6.930],
"number_observations": 2736,
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}