Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6dd07a2605ebe93f3463493113c99f2c",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 32.045,
"b": 71.677,
"c": 80.856,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.72],
"number_observations_unique": 17548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 27.18
},
{
"type": "Completeness",
"value": 85.7
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.72],
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.598
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 14.8
},
{
"type": "Redundancy",
"value": 1.3
},
{
"type": "CC(1/2)",
"value": 0.678
}
]
},
{
"resolution_limits": [1.84,1.8],
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 74.9
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
}
]
}