Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5e0f21334f400902f47a36f62dc5f9f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.24,
"b": 104.16,
"c": 132.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.454,1.700],
"number_observations": 226688,
"number_observations_unique": 54167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 11.880
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.185
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 16718,
"number_observations_unique": 3970,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.258
},
{
"type": "R(meas)",
"value": 1.441
},
{
"type": "I/SigI",
"value": 1.050
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.211
},
{
"type": "CC(1/2)",
"value": 0.449
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 16208,
"number_observations_unique": 3851,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.024
},
{
"type": "R(meas)",
"value": 1.172
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.209
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 16142,
"number_observations_unique": 3788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.831
},
{
"type": "R(meas)",
"value": 0.950
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.261
},
{
"type": "CC(1/2)",
"value": 0.666
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 15062,
"number_observations_unique": 3589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.920
},
{
"type": "R(meas)",
"value": 1.054
},
{
"type": "I/SigI",
"value": 1.440
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.197
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 14327,
"number_observations_unique": 3528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 3.370
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.061
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 14191,
"number_observations_unique": 3423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.146
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 12923,
"number_observations_unique": 3287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 4.680
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.932
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 12911,
"number_observations_unique": 3198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 5.390
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.037
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 12011,
"number_observations_unique": 2896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 6.560
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.147
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 12797,
"number_observations_unique": 2942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 7.770
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.350
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 12102,
"number_observations_unique": 2835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 10.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.269
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.690,2.530],
"number_observations": 10602,
"number_observations_unique": 2683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 13.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.952
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.870,2.690],
"number_observations": 11217,
"number_observations_unique": 2501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 18.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.485
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 10708,
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 23.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.570
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 9739,
"number_observations_unique": 2182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.463
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 8375,
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 33.490
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.223
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 7370,
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 40.680
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.171
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 5604,
"number_observations_unique": 1485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 44.820
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.774
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.600,5.380],
"number_observations": 5167,
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 45.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.284
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.454,7.600],
"number_observations": 2514,
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 50.020
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.541
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}