Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9152a1e4d9c68deb86a4280b8c20bbe",
"space_group_name": "P 1",
"unit_cell": {
"a": 4.94,
"b": 10.34,
"c": 31.15,
"alpha": 94.21,
"beta": 92.38,
"gamma": 102.20
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [10.338,0.750],
"number_observations": 43252,
"number_observations_unique": 7474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 4.570
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.787
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [0.770,0.750],
"number_observations": 2359,
"number_observations_unique": 532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "R(meas)",
"value": 0.729
},
{
"type": "I/SigI",
"value": 1.770
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.434
},
{
"type": "CC(1/2)",
"value": 0.209
}
]
},
{
"resolution_limits": [0.790,0.770],
"number_observations": 2771,
"number_observations_unique": 557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "I/SigI",
"value": 2.330
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.975
},
{
"type": "CC(1/2)",
"value": 0.383
}
]
},
{
"resolution_limits": [0.810,0.790],
"number_observations": 2738,
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.606
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 5.225
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [0.840,0.810],
"number_observations": 2518,
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "R(meas)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.046
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [0.870,0.840],
"number_observations": 2444,
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 2.840
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.134
},
{
"type": "CC(1/2)",
"value": 0.611
}
]
},
{
"resolution_limits": [0.900,0.870],
"number_observations": 2522,
"number_observations_unique": 466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 3.260
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.412
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [0.930,0.900],
"number_observations": 2632,
"number_observations_unique": 463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.414
},
{
"type": "I/SigI",
"value": 3.830
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.685
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [0.970,0.930],
"number_observations": 2835,
"number_observations_unique": 460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 4.420
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.163
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [1.010,0.970],
"number_observations": 2704,
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 4.920
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.245
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [1.060,1.010],
"number_observations": 2281,
"number_observations_unique": 392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.819
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [1.120,1.060],
"number_observations": 2360,
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 5.490
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.114
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 2594,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 6.450
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.826
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [1.270,1.190],
"number_observations": 2549,
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 6.530
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.779
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.370,1.270],
"number_observations": 1747,
"number_observations_unique": 291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.003
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.500,1.370],
"number_observations": 2022,
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 7.120
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.630
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.680,1.500],
"number_observations": 1891,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.876
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.940,1.680],
"number_observations": 1241,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 7.510
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.054
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.370,1.940],
"number_observations": 1490,
"number_observations_unique": 220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 8.220
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.773
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.350,2.370],
"number_observations": 992,
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.570
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [10.338,3.350],
"number_observations": 562,
"number_observations_unique": 83,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 6.771
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}