Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "449f40577fb9d7bbbe80d021cdd46eb3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.886,
"b": 81.815,
"c": 103.750,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.670,1.799],
"number_observations_unique": 34678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 11584,
"number_observations_unique": 1965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [35.670,8.990],
"number_observations": 2022,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}