Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1beec9ef748be50ed722c085dd276da",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.17,
"b": 64.59,
"c": 133.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.585,2.000],
"number_observations_unique": 28205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2288
},
{
"type": "R(pim)",
"value": 0.1501
},
{
"type": "I/SigI",
"value": 4.45
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 3.027
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [2.073,2.000],
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.137
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.7765
},
{
"type": "I/SigI",
"value": 0.640
},
{
"type": "Completeness",
"value": 53.66
},
{
"type": "Redundancy",
"value": 2.099
},
{
"type": "CC(1/2)",
"value": 0.388
}
]
},
{
"resolution_limits": [2.500,2.100],
"number_observations_unique": 9843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.700
},
{
"type": "R(meas)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.420
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 2.856
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations_unique": 6624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.247
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations_unique": 5380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 7.570
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.374
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations_unique": 2797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 11.770
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.256
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations_unique": 963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.350
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.921
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [40.585,10.000],
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 18.340
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.920
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}