Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7538867c30a6dfb8cef2a9193676257",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 141.576,
"b": 70.151,
"c": 144.426,
"alpha": 90.00,
"beta": 91.47,
"gamma": 90.00
},
"wavelengths": [1.07000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.820,2.600],
"number_observations": 289542,
"number_observations_unique": 87588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.600],
"number_observations": 13705,
"number_observations_unique": 4371,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.273
},
{
"type": "R(meas)",
"value": 1.526
},
{
"type": "R(pim)",
"value": 0.832
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.547
}
]
},
{
"resolution_limits": [49.820,14.000],
"number_observations": 1769,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}