Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c61b9c063638dcdd1aa7780525e42287",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.094,
"b": 41.358,
"c": 110.992,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.050,1.110],
"number_observations": 287616,
"number_observations_unique": 60422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.110],
"number_observations": 3611,
"number_observations_unique": 2920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 63.800
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [29.050,4.960],
"number_observations": 4479,
"number_observations_unique": 824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 57.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}