Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab3a256621137ace2ee91b7963924eea",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 65.351,
"b": 137.585,
"c": 100.971,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.970,1.960],
"number_observations": 118625,
"number_observations_unique": 32858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 7336,
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.476
},
{
"type": "R(meas)",
"value": 1.751
},
{
"type": "R(pim)",
"value": 0.925
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.381
}
]
},
{
"resolution_limits": [100.970,8.970],
"number_observations": 1276,
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}