Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a296c387ed9d1c9844a061186130354",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.670,
"b": 82.344,
"c": 40.543,
"alpha": 90.00,
"beta": 106.83,
"gamma": 90.00
},
"wavelengths": [0.97939,0.91837,0.97895],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.239,1.90],
"number_observations_unique": 12093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 7.160
},
{
"type": "Completeness",
"value": 84.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations": 3368,
"number_observations_unique": 2127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 80.500
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations": 3622,
"number_observations_unique": 2282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 84.600
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations": 3189,
"number_observations_unique": 2030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 83.100
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations": 3303,
"number_observations_unique": 2089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 80.500
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations": 3627,
"number_observations_unique": 2296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 87.700
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 3656,
"number_observations_unique": 2331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 87.400
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations": 3270,
"number_observations_unique": 2107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 81.100
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations": 3574,
"number_observations_unique": 2329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 88.300
}
]
},
{
"resolution_limits": [4.080,3.250],
"number_observations": 3344,
"number_observations_unique": 2187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 84.100
}
]
},
{
"resolution_limits": [28.239,4.080],
"number_observations": 3546,
"number_observations_unique": 2358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 88.300
}
]
}
]
}