Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87a032d2e228f9cd0c8db9a585105c39",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.307,
"b": 52.912,
"c": 44.437,
"alpha": 90.00,
"beta": 103.01,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.190,1.470],
"number_observations": 136233,
"number_observations_unique": 42957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.470],
"number_observations": 4276,
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.225
},
{
"type": "R(meas)",
"value": 1.536
},
{
"type": "R(pim)",
"value": 0.914
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [55.190,8.050],
"number_observations": 1086,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}