Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d10677dc51864c7b596d7389d3d54e8d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.04,
"b": 90.45,
"c": 48.37,
"alpha": 90.0,
"beta": 102.1,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.450,1.670],
"number_observations_unique": 40350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.670],
"number_observations": 5139,
"number_observations_unique": 3064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 47.000
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [1.870,1.760],
"number_observations": 11307,
"number_observations_unique": 5196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.000,1.870],
"number_observations": 16498,
"number_observations_unique": 5781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.160,2.000],
"number_observations": 16167,
"number_observations_unique": 5399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.360,2.160],
"number_observations": 15125,
"number_observations_unique": 4989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.640,2.360],
"number_observations": 14045,
"number_observations_unique": 4508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.050,2.640],
"number_observations": 12559,
"number_observations_unique": 4000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.730,3.050],
"number_observations": 10570,
"number_observations_unique": 3371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [5.280,3.730],
"number_observations": 7932,
"number_observations_unique": 2594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 32.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [90.450,5.280],
"number_observations": 4448,
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.100
}
]
}
]
}