Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11bc5f51f8b1d7796d756d61f299e001",
"space_group_name": "P 1",
"unit_cell": {
"a": 41.504,
"b": 45.060,
"c": 46.281,
"alpha": 65.45,
"beta": 77.51,
"gamma": 69.35
},
"wavelengths": [1.54980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.960,1.900],
"number_observations": 72086,
"number_observations_unique": 20988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 4422,
"number_observations_unique": 1275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [41.960,9.110],
"number_observations": 601,
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}