Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6783ec25b6ce1c46a97107b5cc99a1b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.21,
"b": 58.41,
"c": 49.58,
"alpha": 90.00,
"beta": 115.85,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.620,1.630],
"number_observations": 101194,
"number_observations_unique": 30252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 7464,
"number_observations_unique": 2225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.948
},
{
"type": "R(meas)",
"value": 1.126
},
{
"type": "R(pim)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [44.620,7.290],
"number_observations": 1271,
"number_observations_unique": 365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}