Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45689bcb8a35d8077191ebe4bf6631f1",
"space_group_name": "P 2 2 21",
"unit_cell": {
"a": 100.683,
"b": 179.590,
"c": 99.658,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.683,2.030],
"number_observations_unique": 117532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 113114,
"number_observations_unique": 8628,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.176
},
{
"type": "R(meas)",
"value": 4.343
},
{
"type": "R(pim)",
"value": 1.185
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [100.670,9.080],
"number_observations": 17240,
"number_observations_unique": 1492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}