Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20aa5276bd4950b264018b641a86fdf5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.55,
"b": 79.43,
"c": 55.58,
"alpha": 90.00,
"beta": 112.29,
"gamma": 90.00
},
"wavelengths": [0.93100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.100],
"number_observations_unique": 150866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.72
}
]
},
"refln_shells": [
{
"resolution_limits": [1.13,1.10],
"number_observations": 22645,
"number_observations_unique": 10414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 80.30
}
]
},
{
"resolution_limits": [1.16,1.13],
"number_observations": 21035,
"number_observations_unique": 9681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 83.30
}
]
},
{
"resolution_limits": [1.19,1.16],
"number_observations": 19163,
"number_observations_unique": 8873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 84.70
}
]
},
{
"resolution_limits": [1.23,1.19],
"number_observations": 23253,
"number_observations_unique": 10808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 86.20
}
]
},
{
"resolution_limits": [1.27,1.23],
"number_observations": 20047,
"number_observations_unique": 9471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 87.10
}
]
},
{
"resolution_limits": [1.31,1.27],
"number_observations": 19698,
"number_observations_unique": 8537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 88.40
}
]
},
{
"resolution_limits": [1.36,1.31],
"number_observations": 27402,
"number_observations_unique": 9472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 89.60
}
]
},
{
"resolution_limits": [1.42,1.36],
"number_observations": 27571,
"number_observations_unique": 9612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 89.50
}
]
},
{
"resolution_limits": [1.48,1.42],
"number_observations": 23316,
"number_observations_unique": 8144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 89.80
}
]
},
{
"resolution_limits": [1.56,1.48],
"number_observations": 26032,
"number_observations_unique": 9035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 89.90
}
]
},
{
"resolution_limits": [1.64,1.56],
"number_observations": 21705,
"number_observations_unique": 7383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 90.50
}
]
},
{
"resolution_limits": [1.74,1.64],
"number_observations": 33659,
"number_observations_unique": 7622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 92.50
}
]
},
{
"resolution_limits": [1.86,1.74],
"number_observations": 52929,
"number_observations_unique": 7499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 97.30
}
]
},
{
"resolution_limits": [2.01,1.86],
"number_observations": 47449,
"number_observations_unique": 6989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 97.60
}
]
},
{
"resolution_limits": [2.20,2.01],
"number_observations": 44779,
"number_observations_unique": 6431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [2.46,2.20],
"number_observations": 40946,
"number_observations_unique": 5884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 22.9
},
{
"type": "Completeness",
"value": 98.30
}
]
},
{
"resolution_limits": [2.84,2.46],
"number_observations": 35758,
"number_observations_unique": 5218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 26.3
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [3.48,2.84],
"number_observations": 24541,
"number_observations_unique": 4433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 28.6
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [4.92,3.48],
"number_observations": 18839,
"number_observations_unique": 3436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 35.3
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [50.0,4.92],
"number_observations": 10982,
"number_observations_unique": 1924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.0
},
{
"type": "Completeness",
"value": 98.40
}
]
}
]
}