Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df52556e40a644f1ffff789cd4e37775",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 67.01,
"b": 177.71,
"c": 77.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.340,2.100],
"number_observations": 195951,
"number_observations_unique": 27310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 15982,
"number_observations_unique": 2202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "R(meas)",
"value": 0.790
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [35.340,8.910],
"number_observations": 2422,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}