Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90a904e31716d7262ee3a95268e4b51d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.572,
"b": 63.482,
"c": 74.624,
"alpha": 90.00,
"beta": 126.11,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.320,1.980],
"number_observations": 127168,
"number_observations_unique": 30885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 8251,
"number_observations_unique": 2071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "R(pim)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [48.320,9.070],
"number_observations": 1276,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}