Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6f7b12375f457100704a9d7483301d2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.156,
"b": 49.086,
"c": 115.073,
"alpha": 90.00,
"beta": 95.03,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.120,2.170],
"number_observations": 100885,
"number_observations_unique": 39276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.170],
"number_observations": 12196,
"number_observations_unique": 4802,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.214
},
{
"type": "R(meas)",
"value": 1.520
},
{
"type": "R(pim)",
"value": 0.903
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 70.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.362
}
]
},
{
"resolution_limits": [45.120,6.850],
"number_observations": 3585,
"number_observations_unique": 1382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}