Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee9586f06e9dcfbb851040c5fce0ba9e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.53,
"b": 75.41,
"c": 79.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.73,1.600],
"number_observations": 267556,
"number_observations_unique": 41577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 21.380
},
{
"type": "Completeness",
"value": 99.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 19026,
"number_observations_unique": 2984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.852
},
{
"type": "R(meas)",
"value": 0.927
},
{
"type": "I/SigI",
"value": 1.910
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [1.680,1.640],
"number_observations": 20034,
"number_observations_unique": 2955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.648
},
{
"type": "R(meas)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 2.680
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations": 19178,
"number_observations_unique": 2879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 18670,
"number_observations_unique": 2827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 4.790
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 17172,
"number_observations_unique": 2706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 6.260
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.910,1.850],
"number_observations": 15908,
"number_observations_unique": 2612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 8.760
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [1.980,1.910],
"number_observations": 16926,
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 12.150
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.060,1.980],
"number_observations": 16635,
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 15.870
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.160,2.060],
"number_observations": 15880,
"number_observations_unique": 2366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 19.670
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.260,2.160],
"number_observations": 13775,
"number_observations_unique": 2223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 22.840
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.380,2.260],
"number_observations": 12960,
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 26.120
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.530,2.380],
"number_observations": 13518,
"number_observations_unique": 2041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 31.640
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.700,2.530],
"number_observations": 13096,
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 36.360
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.920,2.700],
"number_observations": 11792,
"number_observations_unique": 1789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 41.980
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.200,2.920],
"number_observations": 10295,
"number_observations_unique": 1660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 46.590
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.570,3.200],
"number_observations": 8396,
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 49.080
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [4.130,3.570],
"number_observations": 8485,
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 56.780
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.050,4.130],
"number_observations": 7242,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 59.440
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [7.150,5.050],
"number_observations": 5216,
"number_observations_unique": 909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 54.700
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [54.73,7.150],
"number_observations": 3352,
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 59.770
},
{
"type": "Completeness",
"value": 100.000
}
]
}
]
}