Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3763b3ebe63cd0e5d50cb68f775e59f",
"space_group_name": "F 2 2 2",
"unit_cell": {
"a": 69.657,
"b": 76.887,
"c": 78.100,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.070,1.800],
"number_observations": 71509,
"number_observations_unique": 9891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 3905,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.478
},
{
"type": "R(meas)",
"value": 1.596
},
{
"type": "R(pim)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [43.070,9.000],
"number_observations": 525,
"number_observations_unique": 94,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 56.900
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}