Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f87d01279be3290a3b9a1ec10847d69",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.803,
"b": 64.562,
"c": 74.896,
"alpha": 90.00,
"beta": 126.11,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.670,1.590],
"number_observations": 244960,
"number_observations_unique": 58366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 10836,
"number_observations_unique": 2683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [34.670,8.730],
"number_observations": 1262,
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}