Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f742ddda3254e5a8f74718d62ef5998",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 419.731,
"b": 419.731,
"c": 761.144,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.455,3.300],
"number_observations": 1819911,
"number_observations_unique": 380562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [3.480,3.300],
"number_observations": 226817,
"number_observations_unique": 54974,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.056
},
{
"type": "R(meas)",
"value": 2.349
},
{
"type": "R(pim)",
"value": 1.113
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.690,3.480],
"number_observations": 239750,
"number_observations_unique": 52622,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.492
},
{
"type": "R(meas)",
"value": 1.688
},
{
"type": "R(pim)",
"value": 0.776
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.940,3.690],
"number_observations": 230311,
"number_observations_unique": 49289,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.079
},
{
"type": "R(meas)",
"value": 1.216
},
{
"type": "R(pim)",
"value": 0.553
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.260,3.940],
"number_observations": 209348,
"number_observations_unique": 45581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.714
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.670,4.260],
"number_observations": 220250,
"number_observations_unique": 42476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [5.220,4.670],
"number_observations": 200691,
"number_observations_unique": 38397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [6.020,5.220],
"number_observations": 170834,
"number_observations_unique": 33743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [7.380,6.020],
"number_observations": 154480,
"number_observations_unique": 28782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [10.440,7.380],
"number_observations": 109406,
"number_observations_unique": 22235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [97.455,10.440],
"number_observations": 58024,
"number_observations_unique": 12463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
}
]
}