Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42ee9e99e515fb95fdd9117d8f1ebdb7",
"space_group_name": "P 65",
"unit_cell": {
"a": 142.73,
"b": 142.73,
"c": 91.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97956,0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,3.000],
"number_observations_unique": 21289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 16.760
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.3
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,3.000],
"number_observations": 8386,
"number_observations_unique": 1572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "I/SigI",
"value": 2.270
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [3.160,3.080],
"number_observations": 8168,
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.572
},
{
"type": "I/SigI",
"value": 2.970
},
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [3.250,3.160],
"number_observations": 7976,
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "I/SigI",
"value": 3.490
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [3.350,3.250],
"number_observations": 7611,
"number_observations_unique": 1426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [3.460,3.350],
"number_observations": 7539,
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 6.170
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [3.590,3.460],
"number_observations": 7241,
"number_observations_unique": 1354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 8.110
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [3.720,3.590],
"number_observations": 6878,
"number_observations_unique": 1291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 10.030
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [3.870,3.720],
"number_observations": 6799,
"number_observations_unique": 1283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 12.810
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [4.050,3.870],
"number_observations": 6424,
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 16.170
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [4.240,4.050],
"number_observations": 6064,
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 19.860
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [4.470,4.240],
"number_observations": 5755,
"number_observations_unique": 1100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [4.740,4.470],
"number_observations": 5429,
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 24.720
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [5.070,4.740],
"number_observations": 5167,
"number_observations_unique": 983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 27.430
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [5.480,5.070],
"number_observations": 4717,
"number_observations_unique": 917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 26.550
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [6.000,5.480],
"number_observations": 4359,
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 26.870
},
{
"type": "Completeness",
"value": 99.3
}
]
},
{
"resolution_limits": [6.710,6.000],
"number_observations": 3915,
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 28.270
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [7.750,6.710],
"number_observations": 3508,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 38.160
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [9.490,7.750],
"number_observations": 2852,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 54.680
},
{
"type": "Completeness",
"value": 99.3
}
]
},
{
"resolution_limits": [13.420,9.490],
"number_observations": 2140,
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 62.940
},
{
"type": "Completeness",
"value": 98.9
}
]
},
{
"resolution_limits": [50,13.420],
"number_observations": 859,
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 54.990
},
{
"type": "Completeness",
"value": 89.7
}
]
}
]
}