Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8abae01a865062e3f4b32e18308deaea",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.167,
"b": 69.963,
"c": 104.053,
"alpha": 90.00,
"beta": 94.18,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.26,2.020],
"number_observations_unique": 72132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.25
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.293
},
{
"type": "I/SigI",
"value": 1.030
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [2.130,2.070],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.078
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.190,2.130],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.856
},
{
"type": "I/SigI",
"value": 1.610
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [2.260,2.190],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "I/SigI",
"value": 2.040
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [2.330,2.260],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 2.580
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [2.410,2.330],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 3.210
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [2.510,2.410],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 3.850
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.610,2.510],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 4.310
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [2.720,2.610],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 5.110
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.860,2.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 5.680
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.010,2.860],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 7.020
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.190,3.010],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.410,3.190],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.690,3.410],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 13.550
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [4.040,3.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 14.990
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [4.520,4.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 16.340
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [5.220,4.520],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 18.030
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [6.390,5.220],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 15.770
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [9.030,6.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 15.980
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [47.26,9.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 19.710
},
{
"type": "Completeness",
"value": 95.600
}
]
}
]
}