Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39214c4b827f0372a88083c7a96707d8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.30,
"b": 75.42,
"c": 52.60,
"alpha": 90.0,
"beta": 93.4,
"gamma": 90.0
},
"wavelengths": [1.11600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.300],
"number_observations_unique": 92251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 19.180
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.300],
"number_observations": 41271,
"number_observations_unique": 11609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 2.810
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.440,1.360],
"number_observations": 54174,
"number_observations_unique": 12627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 4.110
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.540,1.440],
"number_observations": 89599,
"number_observations_unique": 12368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 8.430
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.670,1.540],
"number_observations": 87596,
"number_observations_unique": 11970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 12.480
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.850,1.670],
"number_observations": 84567,
"number_observations_unique": 11501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.150,1.850],
"number_observations": 85178,
"number_observations_unique": 11627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 27.350
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.540,2.150],
"number_observations": 60174,
"number_observations_unique": 8054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 38.620
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.590,2.540],
"number_observations": 59517,
"number_observations_unique": 8031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 45.020
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [50.0,3.590],
"number_observations": 31445,
"number_observations_unique": 4464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 51.290
},
{
"type": "Completeness",
"value": 99.400
}
]
}
]
}