Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "780b62f52f3ab4a19a7150088af157ad",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.242,
"b": 168.239,
"c": 136.787,
"alpha": 90.00,
"beta": 92.49,
"gamma": 90.00
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [106.070,2.200],
"number_observations": 1067371,
"number_observations_unique": 150363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 52298,
"number_observations_unique": 7414,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.159
},
{
"type": "R(meas)",
"value": 2.330
},
{
"type": "R(pim)",
"value": 0.867
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.427
}
]
},
{
"resolution_limits": [106.070,12.050],
"number_observations": 6403,
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}