Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe8d738c6b39988f6ebe736dc295bd4c",
"space_group_name": "P 1",
"unit_cell": {
"a": 80.270,
"b": 92.788,
"c": 106.894,
"alpha": 88.96,
"beta": 88.83,
"gamma": 89.08
},
"wavelengths": [0.96550],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.240,1.900],
"number_observations": 374113,
"number_observations_unique": 229190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 18962,
"number_observations_unique": 11296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.830
},
{
"type": "R(pim)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [80.240,10.410],
"number_observations": 2500,
"number_observations_unique": 1385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}