Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8045ac7066c6e4223e85e814fcafab12",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.549,
"b": 60.510,
"c": 123.630,
"alpha": 90.0,
"beta": 90.9,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.760,1.390],
"number_observations": 301152,
"number_observations_unique": 122192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations": 14950,
"number_observations_unique": 5891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.727
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
},
{
"resolution_limits": [21.760,7.620],
"number_observations": 2209,
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}