Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88be5834cfb4fc0fffcd8cf2ad60221d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.42,
"b": 51.42,
"c": 78.85,
"alpha": 90.00,
"beta": 92.31,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.380,1.5780],
"number_observations_unique": 48847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.580],
"number_observations": 15517,
"number_observations_unique": 2388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "R(meas)",
"value": 0.620
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [44.380,8.640],
"number_observations": 1968,
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 49.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}