Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c085deabbb0ecd24f22894f58e7e076",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.99,
"b": 58.81,
"c": 98.02,
"alpha": 90.00,
"beta": 108.11,
"gamma": 90.00
},
"wavelengths": [0.97250],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.58,1.470],
"number_observations": 302351,
"number_observations_unique": 102793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 17.310
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 21685,
"number_observations_unique": 7400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 2.270
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [1.550,1.510],
"number_observations": 21760,
"number_observations_unique": 7415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [1.600,1.550],
"number_observations": 20874,
"number_observations_unique": 7198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 3.740
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [1.640,1.600],
"number_observations": 19778,
"number_observations_unique": 6977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 4.620
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [1.700,1.640],
"number_observations": 21156,
"number_observations_unique": 6913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [1.760,1.700],
"number_observations": 20106,
"number_observations_unique": 6605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 7.630
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [1.820,1.760],
"number_observations": 18979,
"number_observations_unique": 6373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 9.990
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [1.900,1.820],
"number_observations": 17503,
"number_observations_unique": 6091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 12.020
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [1.980,1.900],
"number_observations": 16618,
"number_observations_unique": 5788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 15.360
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [2.080,1.980],
"number_observations": 17059,
"number_observations_unique": 5654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 19.650
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.190,2.080],
"number_observations": 16197,
"number_observations_unique": 5354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 23.280
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.330,2.190],
"number_observations": 14704,
"number_observations_unique": 4997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 26.790
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [2.490,2.330],
"number_observations": 12796,
"number_observations_unique": 4697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 28.070
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [2.690,2.490],
"number_observations": 13615,
"number_observations_unique": 4475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 32.580
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.940,2.690],
"number_observations": 12215,
"number_observations_unique": 4063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 36.710
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [3.290,2.940],
"number_observations": 10597,
"number_observations_unique": 3608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 41.170
},
{
"type": "Completeness",
"value": 95.800
}
]
},
{
"resolution_limits": [3.800,3.290],
"number_observations": 8653,
"number_observations_unique": 3153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 43.120
},
{
"type": "Completeness",
"value": 94.000
}
]
},
{
"resolution_limits": [4.650,3.800],
"number_observations": 8376,
"number_observations_unique": 2729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 47.480
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [6.580,4.650],
"number_observations": 6188,
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 46.070
},
{
"type": "Completeness",
"value": 95.500
}
]
},
{
"resolution_limits": [46.58,6.580],
"number_observations": 3492,
"number_observations_unique": 1178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 46.550
},
{
"type": "Completeness",
"value": 94.100
}
]
}
]
}