Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c0d3d32c119af87942622341d6c0203",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.656,
"b": 81.015,
"c": 31.854,
"alpha": 90.00,
"beta": 117.79,
"gamma": 90.00
},
"wavelengths": [0.91199],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.510,1.290],
"number_observations": 124633,
"number_observations_unique": 33209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.348
},
{
"type": "R(pim)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.290],
"number_observations": 18414,
"number_observations_unique": 4736,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.106
},
{
"type": "R(meas)",
"value": 1.295
},
{
"type": "R(pim)",
"value": 0.665
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [40.510,4.070],
"number_observations": 4049,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}