Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dcf1c88cc4d8e0229102cd8157ecdb35",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 59.411,
"b": 59.693,
"c": 67.154,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.798],
"number_observations_unique": 20090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.798],
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "R(meas)",
"value": 1.185
},
{
"type": "R(pim)",
"value": 0.642
},
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "R(meas)",
"value": 1.168
},
{
"type": "R(pim)",
"value": 0.631
},
{
"type": "Completeness",
"value": 72.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.788
},
{
"type": "R(meas)",
"value": 0.936
},
{
"type": "R(pim)",
"value": 0.500
},
{
"type": "Completeness",
"value": 74.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "R(meas)",
"value": 0.784
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "Completeness",
"value": 75.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.556
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "R(meas)",
"value": 0.524
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "Completeness",
"value": 80.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.350,2.270],
"number_observations_unique": 1036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations_unique": 1069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations_unique": 1073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations_unique": 1089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations_unique": 1116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations_unique": 1136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations_unique": 1127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.880,3.390],
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.880,3.880],
"number_observations_unique": 1175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [50.000,4.880],
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}