Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aed2286b0082315f29c9369ed90cf622",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.206,
"b": 50.807,
"c": 92.903,
"alpha": 92.39,
"beta": 102.93,
"gamma": 109.33
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.020,1.330],
"number_observations": 1155326,
"number_observations_unique": 150446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.330],
"number_observations": 50726,
"number_observations_unique": 7025,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.035
},
{
"type": "R(meas)",
"value": 1.113
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [38.020,7.280],
"number_observations": 8075,
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 56.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}