Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd42a376d8c8b566fca96a0bba8a9bc9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.618,
"b": 39.617,
"c": 62.423,
"alpha": 90.00,
"beta": 105.47,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.620,1.990],
"number_observations": 60175,
"number_observations_unique": 18040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,1.990],
"number_observations": 8678,
"number_observations_unique": 2613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.804
},
{
"type": "R(pim)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [39.620,6.280],
"number_observations": 1805,
"number_observations_unique": 590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.100
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}