Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ced37f369410e41ba19d0c72e6df79b7",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.08,
"b": 75.22,
"c": 118.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.140,1.799],
"number_observations": 101054,
"number_observations_unique": 25981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.799],
"number_observations": 4918,
"number_observations_unique": 1254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [59.140,4.883],
"number_observations": 5495,
"number_observations_unique": 1363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.400
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}