Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4ece8742f1d026c9441e6afc8ece51d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.680,
"b": 64.087,
"c": 47.972,
"alpha": 90.00,
"beta": 110.49,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.940,1.5080],
"number_observations_unique": 42493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.510],
"number_observations": 34223,
"number_observations_unique": 6183,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.844
},
{
"type": "R(meas)",
"value": 3.171
},
{
"type": "R(pim)",
"value": 1.369
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.383
}
]
},
{
"resolution_limits": [44.940,4.770],
"number_observations": 6597,
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}