Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89113ea68d8eebf9cbfa038834b52970",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.539,
"b": 58.360,
"c": 123.820,
"alpha": 90.00,
"beta": 94.81,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.560,1.850],
"number_observations": 318743,
"number_observations_unique": 74626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 17472,
"number_observations_unique": 4010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "R(meas)",
"value": 0.636
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 83.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [60.560,9.250],
"number_observations": 3068,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}