Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff3365dc6586b78c8b567e191888f1da",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.444,
"b": 58.427,
"c": 50.140,
"alpha": 90.00,
"beta": 116.28,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.210,1.560],
"number_observations": 117970,
"number_observations_unique": 34960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.560],
"number_observations": 8663,
"number_observations_unique": 2535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.702
},
{
"type": "R(meas)",
"value": 0.832
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [29.210,6.980],
"number_observations": 1443,
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}