Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1991acdb7c5f96db6967cb7ebe8172f",
"space_group_name": "P 1",
"unit_cell": {
"a": 20.442,
"b": 31.332,
"c": 35.408,
"alpha": 88.72,
"beta": 74.96,
"gamma": 89.79
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.190,1.100],
"number_observations": 446025,
"number_observations_unique": 31530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.100],
"number_observations": 12809,
"number_observations_unique": 1141,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.146
},
{
"type": "R(meas)",
"value": 4.334
},
{
"type": "R(pim)",
"value": 1.237
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 66.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.459
}
]
},
{
"resolution_limits": [34.190,6.000],
"number_observations": 3277,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 58.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}