Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72f934f19de69955ae36ed64aa1f1790",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.557,
"b": 103.040,
"c": 56.195,
"alpha": 90.00,
"beta": 98.95,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.210,1.690],
"number_observations": 194591,
"number_observations_unique": 47148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 4091,
"number_observations_unique": 1613,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.710
},
{
"type": "R(meas)",
"value": 2.136
},
{
"type": "R(pim)",
"value": 1.261
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 63.300
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.277
}
]
},
{
"resolution_limits": [29.210,9.100],
"number_observations": 1440,
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 50.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}