Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3bc451b218a55098423544c064d4ded",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 74.19,
"b": 74.19,
"c": 143.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.150],
"number_observations": 170145,
"number_observations_unique": 22057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 22.110
},
{
"type": "Completeness",
"value": 98.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 12386,
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 3.190
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations": 12340,
"number_observations_unique": 1582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 3.880
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations": 11907,
"number_observations_unique": 1538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 4.970
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 11643,
"number_observations_unique": 1491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 5.770
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.480,2.400],
"number_observations": 11153,
"number_observations_unique": 1432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 6.510
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [2.570,2.480],
"number_observations": 10910,
"number_observations_unique": 1396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 8.270
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.670,2.570],
"number_observations": 10440,
"number_observations_unique": 1347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.780,2.670],
"number_observations": 10226,
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 12.280
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.900,2.780],
"number_observations": 9599,
"number_observations_unique": 1233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 16.270
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations": 9390,
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 20.070
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [3.210,3.040],
"number_observations": 8686,
"number_observations_unique": 1121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 25.310
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [3.400,3.210],
"number_observations": 8390,
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 32.280
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [3.630,3.400],
"number_observations": 7813,
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 42.880
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [3.930,3.630],
"number_observations": 7346,
"number_observations_unique": 959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 47.110
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [4.300,3.930],
"number_observations": 6710,
"number_observations_unique": 880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 53.820
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [4.810,4.300],
"number_observations": 6007,
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 57.090
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [5.550,4.810],
"number_observations": 5354,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 56.810
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [6.800,5.550],
"number_observations": 4519,
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 53.200
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [9.620,6.800],
"number_observations": 3518,
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 61.240
},
{
"type": "Completeness",
"value": 94.700
}
]
},
{
"resolution_limits": [50,9.620],
"number_observations": 1808,
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 63.530
},
{
"type": "Completeness",
"value": 88.200
}
]
}
]
}