Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df019ccdd51219694a31b988f8029a9e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.606,
"b": 97.390,
"c": 58.339,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.170,1.780],
"number_observations": 143974,
"number_observations_unique": 22648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations": 4626,
"number_observations_unique": 1010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.807
},
{
"type": "R(meas)",
"value": 0.896
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 76.700
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [29.170,8.880],
"number_observations": 1315,
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}