Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48904761f50b86fc245aca5c4ab5f93a",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 126.781,
"b": 126.781,
"c": 41.762,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.440,1.970],
"number_observations": 269096,
"number_observations_unique": 27194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.970],
"number_observations": 18684,
"number_observations_unique": 1897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.947
},
{
"type": "R(meas)",
"value": 0.998
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [29.440,8.830],
"number_observations": 3145,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 74.300
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}