Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3bb10bc56c9d0ac39db9bc59f6acff2",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.52,
"b": 67.52,
"c": 167.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.920,1.940],
"number_observations": 224524,
"number_observations_unique": 17565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"number_observations": 14366,
"number_observations_unique": 1159,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.403
},
{
"type": "R(meas)",
"value": 2.505
},
{
"type": "R(pim)",
"value": 0.700
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [47.920,9.100],
"number_observations": 2281,
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}