Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "294c64f413a83428669614f73308d176",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.188,
"b": 52.507,
"c": 45.693,
"alpha": 90.00,
"beta": 102.71,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.620,1.790],
"number_observations_unique": 24134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 3897,
"number_observations_unique": 1191,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.199
},
{
"type": "R(meas)",
"value": 1.411
},
{
"type": "R(pim)",
"value": 0.732
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 79.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [27.600,8.970],
"number_observations": 694,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}