Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc3614bc4adf88bc5cac387d81f1140a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.846,
"b": 54.613,
"c": 71.464,
"alpha": 90.00,
"beta": 102.19,
"gamma": 90.00
},
"wavelengths": [1.73816],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.920,2.550],
"number_observations": 407151,
"number_observations_unique": 8552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 47.600
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.550],
"number_observations": 12083,
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.162
},
{
"type": "R(meas)",
"value": 3.223
},
{
"type": "R(pim)",
"value": 0.609
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 35.100
},
{
"type": "Redundancy",
"value": 29.100
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [39.920,8.830],
"number_observations": 12521,
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 28.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 48.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}