Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ebe7ebbde352b904200c4a72ad5d9ad",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.411,
"b": 54.270,
"c": 114.497,
"alpha": 90.00,
"beta": 99.42,
"gamma": 90.00
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [112.95,2.000],
"number_observations_unique": 36330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 6726,
"number_observations_unique": 2625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
{
"resolution_limits": [28.240,8.950],
"number_observations": 1018,
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}