Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "154c16f052c2e418c89a89bbcc46cea3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 108.336,
"b": 82.976,
"c": 129.703,
"alpha": 90.00,
"beta": 109.06,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.7,2.55],
"number_observations": 239756,
"number_observations_unique": 239725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1104
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 8.98
},
{
"type": "Completeness",
"value": 98.56
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.641,2.550],
"number_observations": 16547,
"number_observations_unique": 9517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.807
},
{
"type": "R(meas)",
"value": 1.404
},
{
"type": "I/SigI",
"value": 1.26
},
{
"type": "Completeness",
"value": 98.73
}
]
},
{
"resolution_limits": [2.690,2.610],
"number_observations": 18009,
"number_observations_unique": 9748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "R(meas)",
"value": 1.116
},
{
"type": "I/SigI",
"value": 1.270
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.760,2.690],
"number_observations": 17583,
"number_observations_unique": 9592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "R(meas)",
"value": 0.948
},
{
"type": "I/SigI",
"value": 1.460
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [2.850,2.760],
"number_observations": 16880,
"number_observations_unique": 9263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.734
},
{
"type": "I/SigI",
"value": 1.870
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [2.940,2.850],
"number_observations": 15959,
"number_observations_unique": 8837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [3.050,2.940],
"number_observations": 15231,
"number_observations_unique": 8558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 2.710
},
{
"type": "Completeness",
"value": 96.000
}
]
},
{
"resolution_limits": [3.160,3.050],
"number_observations": 13448,
"number_observations_unique": 7993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 93.000
}
]
},
{
"resolution_limits": [3.290,3.160],
"number_observations": 14814,
"number_observations_unique": 7989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 4.330
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [3.440,3.290],
"number_observations": 14108,
"number_observations_unique": 7620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 5.480
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [3.600,3.440],
"number_observations": 13437,
"number_observations_unique": 7327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 95.600
}
]
},
{
"resolution_limits": [3.800,3.600],
"number_observations": 12447,
"number_observations_unique": 6902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [4.030,3.800],
"number_observations": 11126,
"number_observations_unique": 6359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 94.100
}
]
},
{
"resolution_limits": [4.310,4.030],
"number_observations": 10425,
"number_observations_unique": 6018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 11.750
},
{
"type": "Completeness",
"value": 93.000
}
]
},
{
"resolution_limits": [4.650,4.310],
"number_observations": 10588,
"number_observations_unique": 5689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 13.310
},
{
"type": "Completeness",
"value": 95.300
}
]
},
{
"resolution_limits": [5.100,4.650],
"number_observations": 9581,
"number_observations_unique": 5186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 14.190
},
{
"type": "Completeness",
"value": 94.800
}
]
},
{
"resolution_limits": [5.700,5.100],
"number_observations": 8480,
"number_observations_unique": 4727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 13.130
},
{
"type": "Completeness",
"value": 94.700
}
]
},
{
"resolution_limits": [6.580,5.700],
"number_observations": 7010,
"number_observations_unique": 4038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 13.120
},
{
"type": "Completeness",
"value": 92.900
}
]
},
{
"resolution_limits": [8.060,6.580],
"number_observations": 6654,
"number_observations_unique": 3550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 16.230
},
{
"type": "Completeness",
"value": 95.600
}
]
},
{
"resolution_limits": [11.400,8.060],
"number_observations": 4783,
"number_observations_unique": 2683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 19.280
},
{
"type": "Completeness",
"value": 94.100
}
]
},
{
"resolution_limits": [47.7,11.400],
"number_observations": 2646,
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 91.400
}
]
}
]
}