Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "645f50d2f375ac6d343c6ebf1dde9298",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.84,
"b": 93.73,
"c": 93.53,
"alpha": 90.00,
"beta": 107.81,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.730,1.630],
"number_observations": 400494,
"number_observations_unique": 117141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 29721,
"number_observations_unique": 8732,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.072
},
{
"type": "R(meas)",
"value": 1.276
},
{
"type": "R(pim)",
"value": 0.684
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.484
}
]
},
{
"resolution_limits": [93.730,7.290],
"number_observations": 4902,
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 63.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}