Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36392532ca00de2e394ba03626c50cd0",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.863,
"b": 59.604,
"c": 79.855,
"alpha": 79.70,
"beta": 81.81,
"gamma": 76.08
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.860,1.710],
"number_observations": 155108,
"number_observations_unique": 88844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.710],
"number_observations": 11088,
"number_observations_unique": 6544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "R(meas)",
"value": 0.735
},
{
"type": "R(pim)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
},
{
"resolution_limits": [49.860,7.650],
"number_observations": 1892,
"number_observations_unique": 1020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 86.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}