Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ae52b53f6165c72e9e8d7cde28128604",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.691,
"b": 101.948,
"c": 145.045,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.350,2.050],
"number_observations": 265969,
"number_observations_unique": 41368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 18227,
"number_observations_unique": 3125,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.379
},
{
"type": "R(meas)",
"value": 2.614
},
{
"type": "R(pim)",
"value": 1.069
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.231
}
]
},
{
"resolution_limits": [48.350,8.960],
"number_observations": 3463,
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 39.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}