Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef962d0ea585d47c69178e1eba80e1cd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.043,
"b": 47.183,
"c": 46.417,
"alpha": 90.00,
"beta": 103.12,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.180,1.550],
"number_observations": 49498,
"number_observations_unique": 15705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 1761,
"number_observations_unique": 742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [47.180,8.490],
"number_observations": 331,
"number_observations_unique": 104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.200
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}