Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62b8b4fa26d25ac2b0d5983cad9e2953",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 4.74,
"b": 46.17,
"c": 10.33,
"alpha": 90.00,
"beta": 103.33,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.700],
"number_observations": 2087,
"number_observations_unique": 472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.700],
"number_observations_unique": 40,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.947
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "R(pim)",
"value": 0.636
},
{
"type": "Completeness",
"value": 71.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.026
}
]
},
{
"resolution_limits": [1.830,1.760],
"number_observations_unique": 32,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "R(meas)",
"value": 0.937
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [1.910,1.830],
"number_observations_unique": 51,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.633
},
{
"type": "R(meas)",
"value": 0.739
},
{
"type": "R(pim)",
"value": 0.371
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.408
}
]
},
{
"resolution_limits": [2.020,1.910],
"number_observations_unique": 46,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [2.140,2.020],
"number_observations_unique": 55,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.310,2.140],
"number_observations_unique": 51,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.540,2.310],
"number_observations_unique": 54,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.910,2.540],
"number_observations_unique": 32,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.660,2.910],
"number_observations_unique": 55,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [100.000,3.660],
"number_observations_unique": 56,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}