Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54ca9c9859daa0571bc83312f1b92607",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 97.328,
"b": 119.150,
"c": 127.763,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [119.150,1.640],
"number_observations": 1012426,
"number_observations_unique": 179842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.640],
"number_observations": 14378,
"number_observations_unique": 6691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 75.100
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [119.150,8.960],
"number_observations": 7608,
"number_observations_unique": 1277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}