Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bcfbaee986276ecb2764e1633afdbb23",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.00,
"b": 44.54,
"c": 27.55,
"alpha": 90.0,
"beta": 109.1,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.000,1.700],
"number_observations": 45309,
"number_observations_unique": 6831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 13.380
},
{
"type": "Completeness",
"value": 99.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.700],
"number_observations": 3067,
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 5.580
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [1.790,1.750],
"number_observations": 3142,
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 3245,
"number_observations_unique": 486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 6.340
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 2870,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 7.390
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 3101,
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 8.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 2923,
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 2825,
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 10.460
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.200,2.110],
"number_observations": 2643,
"number_observations_unique": 391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 11.440
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.290,2.200],
"number_observations": 2706,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 12.480
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.410,2.290],
"number_observations": 2325,
"number_observations_unique": 353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 14.480
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations": 2529,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.690,2.540],
"number_observations": 2342,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 17.110
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.880,2.690],
"number_observations": 2034,
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 18.390
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.110,2.880],
"number_observations": 2007,
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 21.770
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [3.400,3.110],
"number_observations": 1804,
"number_observations_unique": 274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 23.290
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 1638,
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 24.680
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 1407,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 25.870
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 1252,
"number_observations_unique": 187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 26.160
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [7.610,5.380],
"number_observations": 966,
"number_observations_unique": 149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 24.530
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [26.000,7.610],
"number_observations": 483,
"number_observations_unique": 81,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 26.040
},
{
"type": "Completeness",
"value": 98.800
}
]
}
]
}