Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "71e473daa35c41c5f92d96be077340fb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.599,
"b": 83.807,
"c": 59.073,
"alpha": 90.00,
"beta": 108.27,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.920,1.600],
"number_observations": 397672,
"number_observations_unique": 66485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 8647,
"number_observations_unique": 2560,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.177
},
{
"type": "R(meas)",
"value": 1.456
},
{
"type": "R(pim)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 76.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.279
}
]
},
{
"resolution_limits": [41.920,8.760],
"number_observations": 2661,
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 80.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}