Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "46666f941495729a53128f52a8b56c5e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.17,
"b": 79.62,
"c": 153.18,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.630,1.650],
"number_observations": 773310,
"number_observations_unique": 106044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 18.910
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.730
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.650],
"number_observations_unique": 1915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 1.730
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.040
}
]
},
{
"resolution_limits": [1.700,1.670],
"number_observations_unique": 5541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.582
},
{
"type": "I/SigI",
"value": 1.860
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.380
}
]
},
{
"resolution_limits": [1.740,1.700],
"number_observations_unique": 6837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 2.360
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [1.780,1.740],
"number_observations_unique": 6229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.520
}
]
},
{
"resolution_limits": [1.820,1.780],
"number_observations_unique": 5730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 3.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.390
}
]
},
{
"resolution_limits": [1.870,1.820],
"number_observations_unique": 6424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 4.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.420
}
]
},
{
"resolution_limits": [1.940,1.870],
"number_observations_unique": 6146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 3.640
},
{
"type": "Completeness",
"value": 77.400
},
{
"type": "Redundancy",
"value": 5.630
}
]
},
{
"resolution_limits": [2.000,1.940],
"number_observations_unique": 5974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 4.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.440
}
]
},
{
"resolution_limits": [2.070,2.000],
"number_observations_unique": 6120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.440
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 5370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 11.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.410
}
]
},
{
"resolution_limits": [2.230,2.140],
"number_observations_unique": 5921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 10.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.460
}
]
},
{
"resolution_limits": [2.360,2.230],
"number_observations_unique": 5636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 14.540
},
{
"type": "Completeness",
"value": 80.300
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.490,2.360],
"number_observations_unique": 5702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.460
}
]
},
{
"resolution_limits": [2.650,2.490],
"number_observations_unique": 5511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 24.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.450
}
]
},
{
"resolution_limits": [2.860,2.650],
"number_observations_unique": 5536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.450
}
]
},
{
"resolution_limits": [3.150,2.860],
"number_observations_unique": 5397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 40.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.430
}
]
},
{
"resolution_limits": [3.610,3.150],
"number_observations_unique": 5433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 50.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [4.640,3.610],
"number_observations_unique": 5314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 63.010
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 6.680
}
]
},
{
"resolution_limits": [79.630,4.640],
"number_observations_unique": 5308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 64.830
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.810
}
]
}
]
}