Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75d6b81f5ddd3630b357be0d61f558fd",
"space_group_name": "P 42 2 2",
"unit_cell": {
"a": 43.915,
"b": 43.915,
"c": 64.312,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.920,1.450],
"number_observations": 142182,
"number_observations_unique": 11734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 6194,
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.881
},
{
"type": "R(meas)",
"value": 4.075
},
{
"type": "R(pim)",
"value": 1.221
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.670
}
]
},
{
"resolution_limits": [43.920,7.940],
"number_observations": 917,
"number_observations_unique": 102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}