Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c168c9ac3a007fbb7b72f0193aaf7dc9",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 32.007,
"b": 32.007,
"c": 281.333,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.89,2.50],
"number_observations_unique": 3624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 33.2
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [46.89,9.02],
"number_observations_unique": 129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 70.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 19.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.60,2.50],
"number_observations_unique": 366,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.622
},
{
"type": "R(meas)",
"value": 6.783
},
{
"type": "R(pim)",
"value": 1.462
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 35.8
},
{
"type": "CC(1/2)",
"value": 0.388
}
]
}
]
}