Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04e0ae28b21525449f288f1ab7ac69b0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.57,
"b": 102.92,
"c": 137.24,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.803,2.100],
"number_observations_unique": 58501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 98.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.15,2.10],
"number_observations": 14839,
"number_observations_unique": 4253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [2.21,2.15],
"number_observations": 16980,
"number_observations_unique": 4194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.28,2.21],
"number_observations": 16742,
"number_observations_unique": 4071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.35,2.28],
"number_observations": 16670,
"number_observations_unique": 3980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.42,2.35],
"number_observations": 16291,
"number_observations_unique": 3829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.51,2.42],
"number_observations": 15987,
"number_observations_unique": 3735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.60,2.51],
"number_observations": 15574,
"number_observations_unique": 3605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.71,2.60],
"number_observations": 15186,
"number_observations_unique": 3496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.83,2.71],
"number_observations": 14557,
"number_observations_unique": 3312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.97,2.83],
"number_observations": 14114,
"number_observations_unique": 3200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [3.13,2.97],
"number_observations": 13419,
"number_observations_unique": 3045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [3.32,3.13],
"number_observations": 12650,
"number_observations_unique": 2862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [3.55,3.32],
"number_observations": 11853,
"number_observations_unique": 2701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 17.4
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [3.83,3.55],
"number_observations": 10925,
"number_observations_unique": 2505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 22.1
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [4.20,3.83],
"number_observations": 10156,
"number_observations_unique": 2294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 26.3
},
{
"type": "Completeness",
"value": 97.40
}
]
},
{
"resolution_limits": [4.70,4.20],
"number_observations": 9240,
"number_observations_unique": 2068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 30.1
},
{
"type": "Completeness",
"value": 96.00
}
]
},
{
"resolution_limits": [5.42,4.70],
"number_observations": 8192,
"number_observations_unique": 1828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 29.6
},
{
"type": "Completeness",
"value": 96.00
}
]
},
{
"resolution_limits": [6.64,5.42],
"number_observations": 6968,
"number_observations_unique": 1575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 25.1
},
{
"type": "Completeness",
"value": 96.90
}
]
},
{
"resolution_limits": [9.39,6.64],
"number_observations": 5412,
"number_observations_unique": 1235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 35.2
},
{
"type": "Completeness",
"value": 95.50
}
]
},
{
"resolution_limits": [41.803,9.39],
"number_observations": 2888,
"number_observations_unique": 713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 42.7
},
{
"type": "Completeness",
"value": 91.60
}
]
}
]
}