Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10d3183d3355f7f585efa4ce893a7163",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.507,
"b": 64.433,
"c": 74.407,
"alpha": 90.00,
"beta": 125.79,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.740,1.900],
"number_observations": 147646,
"number_observations_unique": 35754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 9074,
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.633
},
{
"type": "R(meas)",
"value": 0.727
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [34.740,9.090],
"number_observations": 1196,
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 43.900
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}