Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02356e0c5975ef26b5f234011804960c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.113,
"b": 60.446,
"c": 38.309,
"alpha": 90.00,
"beta": 93.81,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.404],
"number_observations_unique": 27015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.404],
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 87.2
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [1.460,1.430],
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "Completeness",
"value": 91.0
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
{
"resolution_limits": [1.490,1.460],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [1.520,1.490],
"number_observations_unique": 1309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [1.550,1.520],
"number_observations_unique": 1379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [1.590,1.550],
"number_observations_unique": 1344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [1.670,1.630],
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
{
"resolution_limits": [1.720,1.670],
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [1.780,1.720],
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [1.840,1.780],
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [1.910,1.840],
"number_observations_unique": 1336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [2.000,1.910],
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [2.110,2.000],
"number_observations_unique": 1382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations_unique": 1384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [2.410,2.240],
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [2.650,2.410],
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.040,2.650],
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [3.830,3.040],
"number_observations_unique": 1379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [50.000,3.830],
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
}
]
}