Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6983e9177fff1b74f0f4f53d5c4c4b0e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.44,
"b": 49.31,
"c": 61.90,
"alpha": 90.00,
"beta": 107.21,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.950,2.300],
"number_observations": 77646,
"number_observations_unique": 14259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 8006,
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.775
},
{
"type": "R(meas)",
"value": 1.962
},
{
"type": "R(pim)",
"value": 0.825
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.375
}
]
},
{
"resolution_limits": [46.950,8.910],
"number_observations": 1316,
"number_observations_unique": 267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 45.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}