Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4adab95c476f3e92fe7f58d8d2f6415a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.63,
"b": 79.60,
"c": 89.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.220,1.370],
"number_observations": 616874,
"number_observations_unique": 94593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.370],
"number_observations": 41392,
"number_observations_unique": 6897,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.717
},
{
"type": "R(meas)",
"value": 1.883
},
{
"type": "R(pim)",
"value": 0.762
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.403
}
]
},
{
"resolution_limits": [49.220,6.130],
"number_observations": 7594,
"number_observations_unique": 1203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}