Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d1300b5e670d94b5d0d8c3c05f21dbe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 39.845,
"b": 46.982,
"c": 78.034,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.020,1.180],
"number_observations": 182510,
"number_observations_unique": 47352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.180],
"number_observations": 3107,
"number_observations_unique": 1510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 63.400
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [39.020,6.470],
"number_observations": 1448,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 92.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}