Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e97b1fa0d4f9d900755c4ee2d1234d28",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.464,
"b": 151.536,
"c": 107.479,
"alpha": 90.00,
"beta": 90.48,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.7375,1.900],
"number_observations_unique": 146768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 60786,
"number_observations_unique": 7271,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.273
},
{
"type": "R(meas)",
"value": 4.552
},
{
"type": "R(pim)",
"value": 1.555
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [39.730,10.410],
"number_observations": 8963,
"number_observations_unique": 923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}