Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6aaf9749bb206e778a526fbf31246592",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.897,
"b": 89.204,
"c": 100.016,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.650,1.730],
"number_observations": 170134,
"number_observations_unique": 29755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.730],
"number_observations": 24767,
"number_observations_unique": 4388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "R(meas)",
"value": 0.650
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [34.650,5.460],
"number_observations": 5693,
"number_observations_unique": 1018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}