Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "16bb8589c79240e34bc2cef50b607947",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.469,
"b": 64.746,
"c": 74.360,
"alpha": 90.00,
"beta": 125.83,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.760,2.000],
"number_observations": 124886,
"number_observations_unique": 30292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.000],
"number_observations": 8808,
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.911
},
{
"type": "R(pim)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [34.760,8.970],
"number_observations": 1293,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 38.700
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}