Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b87b0f352d3d715f95706188454b5729",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.754,
"b": 27.312,
"c": 56.019,
"alpha": 90.00,
"beta": 100.01,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.170,1.150],
"number_observations": 81292,
"number_observations_unique": 30207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 69.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.150],
"number_observations": 262,
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 7.200
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [55.170,5.020],
"number_observations": 1736,
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 42.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}