Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9ed0cc8e81e58e2bbe5de51bbefc3bfd",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.752,
"b": 88.752,
"c": 39.542,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88556],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.380,1.000],
"number_observations": 1055877,
"number_observations_unique": 165570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 36775,
"number_observations_unique": 7654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.864
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [44.380,5.480],
"number_observations": 7600,
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 68.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}