Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da4714d8479cb20d1e8b26986fc98229",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 87.991,
"b": 94.424,
"c": 246.445,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.090,2.750],
"number_observations": 401692,
"number_observations_unique": 54145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.750],
"number_observations": 33098,
"number_observations_unique": 4379,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.391
},
{
"type": "R(meas)",
"value": 1.493
},
{
"type": "R(pim)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
},
{
"resolution_limits": [20.090,11.670],
"number_observations": 4071,
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}