Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de738e89b7eab8c71da09cb3b6f0f526",
"space_group_name": "P 63",
"unit_cell": {
"a": 68.65,
"b": 68.65,
"c": 52.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.75,1.800],
"number_observations_unique": 13146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 24.390
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.48889
}
]
},
"refln_shells": [
{
"resolution_limits": [1.85,1.80],
"number_observations": 5301,
"number_observations_unique": 960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 5.544979
}
]
},
{
"resolution_limits": [1.90,1.85],
"number_observations": 5201,
"number_observations_unique": 941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [1.95,1.90],
"number_observations": 5000,
"number_observations_unique": 917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [2.01,1.95],
"number_observations": 5069,
"number_observations_unique": 913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.08,2.01],
"number_observations": 4709,
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.15,2.08],
"number_observations": 4622,
"number_observations_unique": 833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.23,2.15],
"number_observations": 4482,
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 18.4
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [2.32,2.23],
"number_observations": 4164,
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 19.9
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [2.43,2.32],
"number_observations": 4147,
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.55,2.43],
"number_observations": 3969,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 28.2
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [2.68,2.55],
"number_observations": 3712,
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 32.3
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.85,2.68],
"number_observations": 3546,
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 34.3
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [3.04,2.85],
"number_observations": 3338,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 39.3
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [3.29,3.04],
"number_observations": 3125,
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 44.3
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [3.60,3.29],
"number_observations": 2834,
"number_observations_unique": 526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 50.9
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [4.03,3.60],
"number_observations": 2428,
"number_observations_unique": 463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 52.6
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [4.65,4.03],
"number_observations": 2253,
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 56.6
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [5.69,4.65],
"number_observations": 1981,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 57.1
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [8.05,5.69],
"number_observations": 1514,
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 57.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [19.75,8.05],
"number_observations": 762,
"number_observations_unique": 145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 59.9
},
{
"type": "Completeness",
"value": 87.30
}
]
}
]
}