Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0037146c2f597f303e097d7663bbe0ab",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 43.366,
"b": 77.005,
"c": 193.114,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.279,2.851],
"number_observations": 27463,
"number_observations_unique": 7621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.901,2.851],
"number_observations": 1439,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(meas)",
"value": 0.847
},
{
"type": "R(pim)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [48.278,8.041],
"number_observations": 1221,
"number_observations_unique": 381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}