Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "361666d528856155892965220ff81d50",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.062,
"b": 47.196,
"c": 46.467,
"alpha": 90.00,
"beta": 103.09,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.200,1.590],
"number_observations": 47583,
"number_observations_unique": 14528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 2215,
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [47.200,8.720],
"number_observations": 320,
"number_observations_unique": 98,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 58.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}