Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a17ec98eb1ef3dee66fb7e668cb83201",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.119,
"b": 35.163,
"c": 37.525,
"alpha": 90.00,
"beta": 92.48,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.490,1.400],
"number_observations": 81556,
"number_observations_unique": 18984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 4173,
"number_observations_unique": 966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.838
},
{
"type": "R(meas)",
"value": 0.956
},
{
"type": "R(pim)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [37.490,7.540],
"number_observations": 494,
"number_observations_unique": 132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}