Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed23438bca38d11ae7f4ef3cff165531",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.523,
"b": 71.523,
"c": 150.402,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.430,1.800],
"number_observations": 473394,
"number_observations_unique": 37108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 26244,
"number_observations_unique": 2261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.913
},
{
"type": "R(meas)",
"value": 0.953
},
{
"type": "R(pim)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [29.430,8.620],
"number_observations": 4428,
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 75.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}