Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c88ac10dddd4d3ae400f300a756b36c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.391,
"b": 64.548,
"c": 74.341,
"alpha": 90.00,
"beta": 125.88,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.700,2.080],
"number_observations": 109990,
"number_observations_unique": 26809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.080],
"number_observations": 8254,
"number_observations_unique": 2032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.715
},
{
"type": "R(meas)",
"value": 0.823
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
},
{
"resolution_limits": [34.700,9.070],
"number_observations": 1271,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}