Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5530e66116e1e13e1b918f98da5f4726",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.89,
"b": 108.36,
"c": 115.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.850],
"number_observations_unique": 76352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 19.570
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 27749,
"number_observations_unique": 5584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 3.740
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 26990,
"number_observations_unique": 5451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 26379,
"number_observations_unique": 5298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 25590,
"number_observations_unique": 5150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 7.410
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 24893,
"number_observations_unique": 5010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 8.710
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations": 24134,
"number_observations_unique": 4838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 10.590
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations": 23170,
"number_observations_unique": 4677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 12.590
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations": 22429,
"number_observations_unique": 4508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 14.290
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations": 21407,
"number_observations_unique": 4300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 16.270
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations": 20719,
"number_observations_unique": 4159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 19.110
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations": 19675,
"number_observations_unique": 3956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 22.410
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations": 18538,
"number_observations_unique": 3730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 26.330
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations": 17438,
"number_observations_unique": 3511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 30.460
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations": 16406,
"number_observations_unique": 3310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 35.960
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations": 14924,
"number_observations_unique": 3030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 41.640
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations": 13560,
"number_observations_unique": 2760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 45.840
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations": 11943,
"number_observations_unique": 2447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 49.170
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.850,4.780],
"number_observations": 10077,
"number_observations_unique": 2084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 47.280
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [8.270,5.850],
"number_observations": 7813,
"number_observations_unique": 1639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 48.760
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [50,8.270],
"number_observations": 3874,
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 51.480
},
{
"type": "Completeness",
"value": 94.000
}
]
}
]
}