Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48db9d277bdca5fc0785dbe1c6be82f4",
"space_group_name": "P 1",
"unit_cell": {
"a": 36.661,
"b": 38.830,
"c": 40.274,
"alpha": 77.64,
"beta": 75.44,
"gamma": 66.42
},
"wavelengths": [1.54120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.14,1.600],
"number_observations_unique": 24608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.600],
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 4.480
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.720,1.660],
"number_observations_unique": 2255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 5.181
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [1.800,1.720],
"number_observations_unique": 2390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 6.129
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [1.900,1.800],
"number_observations_unique": 2497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 5.589
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.020,1.900],
"number_observations_unique": 2543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 5.966
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.170,2.020],
"number_observations_unique": 2587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 6.724
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.390,2.170],
"number_observations_unique": 2554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 7.726
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.740,2.390],
"number_observations_unique": 2590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 10.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [3.450,2.740],
"number_observations_unique": 2560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 16.094
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [500.000,3.451],
"number_observations_unique": 2471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 22.249
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.000
}
]
}
]
}