Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "308b8d84cd47a55f6ff335289d66c3ba",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 140.890,
"b": 140.890,
"c": 286.371,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03322],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.2490],
"number_observations_unique": 21474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.250],
"number_observations_unique": 1064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.460
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
},
{
"resolution_limits": [3.370,3.310],
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(meas)",
"value": 0.836
},
{
"type": "R(pim)",
"value": 0.415
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.635
}
]
},
{
"resolution_limits": [3.430,3.370],
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.720
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
},
{
"resolution_limits": [3.500,3.430],
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [3.580,3.500],
"number_observations_unique": 1089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.526
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [3.660,3.580],
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [3.750,3.660],
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [3.850,3.750],
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [3.970,3.850],
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [4.090,3.970],
"number_observations_unique": 1084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [4.240,4.090],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [4.410,4.240],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [4.610,4.410],
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [4.850,4.610],
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [5.160,4.850],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [5.560,5.160],
"number_observations_unique": 1051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [6.110,5.560],
"number_observations_unique": 1079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [7.000,6.110],
"number_observations_unique": 1084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [8.810,7.000],
"number_observations_unique": 1080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [50.000,8.810],
"number_observations_unique": 1079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}