Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f29cdc8b344f11cfb0a2e8495cc4f169",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.436,
"b": 53.576,
"c": 43.837,
"alpha": 90.00,
"beta": 93.29,
"gamma": 90.00
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.780],
"number_observations": 145509,
"number_observations_unique": 18975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [1.840,1.810],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [1.880,1.840],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [1.920,1.880],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [1.960,1.920],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.000,1.960],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.050,2.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.110,2.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.170,2.110],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.240,2.170],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.320,2.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.420,2.320],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.530,2.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.660,2.530],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.830,2.660],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.040,2.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.350,3.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.830,3.350],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.830,3.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [100.000,4.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 6.700
}
]
}
]
}