Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec4db1729c495b872f5df84a0461b135",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.39,
"b": 60.15,
"c": 88.20,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.390,1.730],
"number_observations": 182953,
"number_observations_unique": 23054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.730],
"number_observations_unique": 3136,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.255
},
{
"type": "R(meas)",
"value": 1.433
},
{
"type": "R(pim)",
"value": 0.502
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [1.820,1.770],
"number_observations_unique": 3108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.970
},
{
"type": "R(meas)",
"value": 1.102
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [1.880,1.820],
"number_observations_unique": 3006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.826
},
{
"type": "R(meas)",
"value": 0.943
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [1.930,1.880],
"number_observations_unique": 2978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.650
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.000,1.930],
"number_observations_unique": 2807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.492
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [2.070,2.000],
"number_observations_unique": 2769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.384
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations_unique": 2661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations_unique": 2574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.330,2.230],
"number_observations_unique": 2454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [2.450,2.330],
"number_observations_unique": 2334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.580,2.450],
"number_observations_unique": 2245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.740,2.580],
"number_observations_unique": 2126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [2.920,2.740],
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [3.160,2.920],
"number_observations_unique": 1865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.460,3.160],
"number_observations_unique": 1698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.870,3.460],
"number_observations_unique": 1534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [4.470,3.870],
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [5.470,4.470],
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [7.740,5.470],
"number_observations_unique": 887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [40.390,7.740],
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.600
}
]
}
]
}