Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2fc403cb7cd0145404bb6738106b56f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 104.709,
"b": 156.973,
"c": 181.043,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.660,2.500],
"number_observations": 841601,
"number_observations_unique": 103744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations": 42221,
"number_observations_unique": 5073,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.038
},
{
"type": "R(meas)",
"value": 1.108
},
{
"type": "R(pim)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [49.660,13.690],
"number_observations": 4842,
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 34.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}