Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "42df32d6c5622deabeb5b7075223a7a9",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.767,
"b": 88.767,
"c": 39.617,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.380,0.970],
"number_observations": 1218652,
"number_observations_unique": 182021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 58585,
"number_observations_unique": 8920,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.266
},
{
"type": "R(meas)",
"value": 2.462
},
{
"type": "R(pim)",
"value": 0.951
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.481
}
]
},
{
"resolution_limits": [44.380,5.310],
"number_observations": 8149,
"number_observations_unique": 1201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 49.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}