Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a2e072a3bf21649d40122f423cacc1f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 87.99,
"b": 104.52,
"c": 189.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,2.250],
"number_observations": 361983,
"number_observations_unique": 83079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 12.570
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.31
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 20444,
"number_observations_unique": 6099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.716
},
{
"type": "R(meas)",
"value": 0.851
},
{
"type": "I/SigI",
"value": 2.320
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations": 19918,
"number_observations_unique": 5933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.582
},
{
"type": "R(meas)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 2.720
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations": 23639,
"number_observations_unique": 5806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "R(meas)",
"value": 0.704
},
{
"type": "I/SigI",
"value": 3.120
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations": 25789,
"number_observations_unique": 5622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.609
},
{
"type": "I/SigI",
"value": 3.790
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.600,2.520],
"number_observations": 25100,
"number_observations_unique": 5447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 4.460
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.690,2.600],
"number_observations": 24446,
"number_observations_unique": 5319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 5.170
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.790,2.690],
"number_observations": 23401,
"number_observations_unique": 5095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 6.430
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.900,2.790],
"number_observations": 22761,
"number_observations_unique": 4948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 7.930
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.030,2.900],
"number_observations": 21627,
"number_observations_unique": 4732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.180,3.030],
"number_observations": 20808,
"number_observations_unique": 4511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 11.970
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.350,3.180],
"number_observations": 19662,
"number_observations_unique": 4300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 14.730
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.560,3.350],
"number_observations": 18699,
"number_observations_unique": 4086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 18.040
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.800,3.560],
"number_observations": 17431,
"number_observations_unique": 3840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 22.060
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.110,3.800],
"number_observations": 16379,
"number_observations_unique": 3587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 25.780
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [4.500,4.110],
"number_observations": 14892,
"number_observations_unique": 3278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [5.030,4.500],
"number_observations": 13555,
"number_observations_unique": 2990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 31.770
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [5.810,5.030],
"number_observations": 12007,
"number_observations_unique": 2659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 30.370
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [7.120,5.810],
"number_observations": 10097,
"number_observations_unique": 2225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 31.220
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [10.060,7.120],
"number_observations": 7760,
"number_observations_unique": 1753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 35.870
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [20,10.060],
"number_observations": 3568,
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 37.600
},
{
"type": "Completeness",
"value": 79.400
}
]
}
]
}