Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df6d1fb498f7948c773dd73aed5cc9b5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 39.460,
"b": 82.791,
"c": 87.876,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.880,1.730],
"number_observations": 207015,
"number_observations_unique": 27102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.730],
"number_observations_unique": 4379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.962
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [87.880,5.480],
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}