Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e4e762f6bbe19046bef5a494e4bd4cd",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.301,
"b": 88.301,
"c": 39.201,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91188],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.340,1.060],
"number_observations": 748148,
"number_observations_unique": 136308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.060],
"number_observations": 16455,
"number_observations_unique": 6088,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.831
},
{
"type": "R(meas)",
"value": 2.246
},
{
"type": "R(pim)",
"value": 1.268
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.276
}
]
},
{
"resolution_limits": [88.340,5.800],
"number_observations": 6361,
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}