Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1247f831acf8e7dc7e344d149b795a3",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.890,
"b": 96.478,
"c": 57.831,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.920,1.790],
"number_observations": 136900,
"number_observations_unique": 21630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 4808,
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.986
},
{
"type": "R(meas)",
"value": 1.097
},
{
"type": "R(pim)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 79.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [28.920,8.950],
"number_observations": 1240,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}