Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f891c9af4b5bbdde00e3b0f8954730d4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.20,
"b": 117.76,
"c": 170.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.29,2.35],
"number_observations": 95612029,
"number_observations_unique": 59710,
"quality_factors": [
{
"type": "I/SigI",
"value": 14.573307
},
{
"type": "Completeness",
"value": 100.000000
},
{
"type": "Redundancy",
"value": 1601.273304
},
{
"type": "CC(1/2)",
"value": 0.9929811
}
]
},
"refln_shells": [
{
"resolution_limits": [6.3613,5.0556],
"number_observations_unique": 3073,
"quality_factors": [
{
"type": "I/SigI",
"value": 33.95
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3345.3
},
{
"type": "CC(1/2)",
"value": 0.995274
}
]
},
{
"resolution_limits": [5.0556,4.4189],
"number_observations_unique": 3034,
"quality_factors": [
{
"type": "I/SigI",
"value": 34.23
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2880.9
},
{
"type": "CC(1/2)",
"value": 0.993442
}
]
},
{
"resolution_limits": [4.4189,4.0161],
"number_observations_unique": 3029,
"quality_factors": [
{
"type": "I/SigI",
"value": 32.16
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2561.5
},
{
"type": "CC(1/2)",
"value": 0.995647
}
]
},
{
"resolution_limits": [4.0161,3.7286],
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "I/SigI",
"value": 29.74
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2394.6
},
{
"type": "CC(1/2)",
"value": 0.996014
}
]
},
{
"resolution_limits": [3.7286,3.5088],
"number_observations_unique": 2958,
"quality_factors": [
{
"type": "I/SigI",
"value": 25.85
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2242.0
},
{
"type": "CC(1/2)",
"value": 0.994644
}
]
},
{
"resolution_limits": [3.5088,3.3333],
"number_observations_unique": 2988,
"quality_factors": [
{
"type": "I/SigI",
"value": 21.92
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2098.7
},
{
"type": "CC(1/2)",
"value": 0.9943
}
]
},
{
"resolution_limits": [3.3333,3.1888],
"number_observations_unique": 2963,
"quality_factors": [
{
"type": "I/SigI",
"value": 16.99
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1954.1
},
{
"type": "CC(1/2)",
"value": 0.994452
}
]
},
{
"resolution_limits": [3.1888,3.0665],
"number_observations_unique": 2993,
"quality_factors": [
{
"type": "I/SigI",
"value": 13.09
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1772.3
},
{
"type": "CC(1/2)",
"value": 0.991764
}
]
},
{
"resolution_limits": [3.0665,2.9603],
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "I/SigI",
"value": 10.38
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1565.0
},
{
"type": "CC(1/2)",
"value": 0.988992
}
]
},
{
"resolution_limits": [2.9603,2.8678],
"number_observations_unique": 2966,
"quality_factors": [
{
"type": "I/SigI",
"value": 8.16
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1353.1
},
{
"type": "CC(1/2)",
"value": 0.980235
}
]
},
{
"resolution_limits": [2.8678,2.7863],
"number_observations_unique": 2949,
"quality_factors": [
{
"type": "I/SigI",
"value": 6.78
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 1154.6
},
{
"type": "CC(1/2)",
"value": 0.978132
}
]
},
{
"resolution_limits": [2.7863,2.713],
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "I/SigI",
"value": 5.45
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 949.7
},
{
"type": "CC(1/2)",
"value": 0.969424
}
]
},
{
"resolution_limits": [2.713,2.6462],
"number_observations_unique": 2957,
"quality_factors": [
{
"type": "I/SigI",
"value": 4.42
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 723.0
},
{
"type": "CC(1/2)",
"value": 0.95523
}
]
},
{
"resolution_limits": [2.6462,2.5867],
"number_observations_unique": 2930,
"quality_factors": [
{
"type": "I/SigI",
"value": 3.55
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 545.5
},
{
"type": "CC(1/2)",
"value": 0.937181
}
]
},
{
"resolution_limits": [2.5867,2.5316],
"number_observations_unique": 2961,
"quality_factors": [
{
"type": "I/SigI",
"value": 2.75
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 413.2
},
{
"type": "CC(1/2)",
"value": 0.906887
}
]
},
{
"resolution_limits": [2.5316,2.4808],
"number_observations_unique": 2947,
"quality_factors": [
{
"type": "I/SigI",
"value": 2.06
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 317.4
},
{
"type": "CC(1/2)",
"value": 0.82236
}
]
},
{
"resolution_limits": [2.4808,2.4337],
"number_observations_unique": 2926,
"quality_factors": [
{
"type": "I/SigI",
"value": 1.41
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 259.3
},
{
"type": "CC(1/2)",
"value": 0.760004
}
]
},
{
"resolution_limits": [2.4337,2.3906],
"number_observations_unique": 2968,
"quality_factors": [
{
"type": "I/SigI",
"value": 1.08
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 210.9
},
{
"type": "CC(1/2)",
"value": 0.691378
}
]
},
{
"resolution_limits": [2.3906,2.3502],
"number_observations_unique": 2910,
"quality_factors": [
{
"type": "I/SigI",
"value": 0.74
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 181.8
},
{
"type": "CC(1/2)",
"value": 0.467669
}
]
}
]
}