Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "65049d4bffe061cce6e7d2a2b4d9593d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.789,
"b": 70.140,
"c": 128.259,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97793],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.330,1.400],
"number_observations": 1357871,
"number_observations_unique": 112108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 65433,
"number_observations_unique": 5529,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.227
},
{
"type": "R(meas)",
"value": 1.283
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.621
}
]
},
{
"resolution_limits": [47.330,7.670],
"number_observations": 9956,
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 43.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}