Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82cc58d6c1351873ccd0bdeabda09971",
"space_group_name": "P 63",
"unit_cell": {
"a": 152.525,
"b": 152.525,
"c": 109.644,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.910],
"number_observations": 510947,
"number_observations_unique": 32039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.960,2.910],
"number_observations_unique": 1565,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.920
},
{
"type": "R(meas)",
"value": 2.007
},
{
"type": "R(pim)",
"value": 0.578
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [3.010,2.960],
"number_observations_unique": 1609,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.554
},
{
"type": "R(meas)",
"value": 1.618
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [3.070,3.010],
"number_observations_unique": 1592,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.251
},
{
"type": "R(meas)",
"value": 1.298
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [3.130,3.070],
"number_observations_unique": 1587,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.110
},
{
"type": "R(meas)",
"value": 1.148
},
{
"type": "R(pim)",
"value": 0.294
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [3.200,3.130],
"number_observations_unique": 1592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.951
},
{
"type": "R(meas)",
"value": 0.983
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [3.280,3.200],
"number_observations_unique": 1589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.885
},
{
"type": "R(meas)",
"value": 0.915
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [3.360,3.280],
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.801
},
{
"type": "R(meas)",
"value": 0.828
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [3.450,3.360],
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.657
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.100
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [3.550,3.450],
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.195
},
{
"type": "R(meas)",
"value": 1.234
},
{
"type": "R(pim)",
"value": 0.306
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [3.670,3.550],
"number_observations_unique": 1598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.344
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.200
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.800,3.670],
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.950,3.800],
"number_observations_unique": 1614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.100
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.130,3.950],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.350,4.130],
"number_observations_unique": 1603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.620,4.350],
"number_observations_unique": 1606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.970,4.620],
"number_observations_unique": 1606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.470,4.970],
"number_observations_unique": 1607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.270,5.470],
"number_observations_unique": 1610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.890,6.270],
"number_observations_unique": 1626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,7.890],
"number_observations_unique": 1660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}