Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82305a2f7454aecc5cb76b69f5b52cdf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.530,
"b": 65.721,
"c": 77.453,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.690],
"number_observations": 503743,
"number_observations_unique": 35882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.926
},
{
"type": "R(meas)",
"value": 0.973
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [1.750,1.720],
"number_observations_unique": 1744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.872
},
{
"type": "R(meas)",
"value": 0.907
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [1.780,1.750],
"number_observations_unique": 1753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.706
},
{
"type": "R(meas)",
"value": 0.732
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.820,1.780],
"number_observations_unique": 1748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.595
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [1.860,1.820],
"number_observations_unique": 1745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 1761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 1764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 1770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.130,2.060],
"number_observations_unique": 1768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.210,2.130],
"number_observations_unique": 1791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations_unique": 1807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.520,2.400],
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.680,2.520],
"number_observations_unique": 1815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.890,2.680],
"number_observations_unique": 1823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.180,2.890],
"number_observations_unique": 1837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.640,3.180],
"number_observations_unique": 1868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.590,3.640],
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [50.000,4.590],
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}