Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76bf5ded5916fd0d2010c60da8cca05f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.634,
"b": 80.973,
"c": 57.019,
"alpha": 90.00,
"beta": 113.17,
"gamma": 90.00
},
"wavelengths": [0.97569],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.400],
"number_observations_unique": 16618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 7.820
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.99
}
]
},
"refln_shells": [
{
"resolution_limits": [2.48,2.40],
"number_observations": 3798,
"number_observations_unique": 1495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 90.20
}
]
},
{
"resolution_limits": [2.58,2.48],
"number_observations": 4236,
"number_observations_unique": 1611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 91.20
}
]
},
{
"resolution_limits": [2.68,2.58],
"number_observations": 3694,
"number_observations_unique": 1409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 90.90
}
]
},
{
"resolution_limits": [2.80,2.68],
"number_observations": 3701,
"number_observations_unique": 1406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 90.90
}
]
},
{
"resolution_limits": [2.94,2.80],
"number_observations": 3576,
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 90.00
}
]
},
{
"resolution_limits": [3.10,2.94],
"number_observations": 3373,
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 90.00
}
]
},
{
"resolution_limits": [3.29,3.10],
"number_observations": 4587,
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [3.51,3.29],
"number_observations": 4199,
"number_observations_unique": 1203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [3.79,3.51],
"number_observations": 3960,
"number_observations_unique": 1147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 98.30
}
]
},
{
"resolution_limits": [4.16,3.79],
"number_observations": 3647,
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 98.10
}
]
},
{
"resolution_limits": [4.65,4.16],
"number_observations": 3168,
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 97.60
}
]
},
{
"resolution_limits": [5.37,4.65],
"number_observations": 2836,
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [6.57,5.37],
"number_observations": 2280,
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 98.20
}
]
},
{
"resolution_limits": [9.30,6.57],
"number_observations": 1879,
"number_observations_unique": 561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 97.90
}
]
},
{
"resolution_limits": [50.0,9.30],
"number_observations": 738,
"number_observations_unique": 273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 84.00
}
]
}
]
}