Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01b7291ec91fa51120124af9c613efaf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 29.981,
"b": 54.867,
"c": 65.434,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.340,1.150],
"number_observations_unique": 39025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 6413,
"number_observations_unique": 1823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.671
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.659
}
]
},
{
"resolution_limits": [19.340,6.300],
"number_observations": 1460,
"number_observations_unique": 284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}