Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ec933897a3321f0624ae8cfc2c3bd97",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 83.605,
"b": 42.006,
"c": 125.180,
"alpha": 90.00,
"beta": 92.75,
"gamma": 90.00
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.930,2.900],
"number_observations": 60383,
"number_observations_unique": 19451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 6.480
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.104
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [2.980,2.900],
"number_observations": 4154,
"number_observations_unique": 1406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "R(meas)",
"value": 0.678
},
{
"type": "I/SigI",
"value": 2.030
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.954
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [3.060,2.980],
"number_observations": 4017,
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.610
},
{
"type": "I/SigI",
"value": 2.220
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.932
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [3.150,3.060],
"number_observations": 4360,
"number_observations_unique": 1369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 2.930
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.185
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [3.240,3.150],
"number_observations": 4342,
"number_observations_unique": 1336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 3.560
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.250
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [3.350,3.240],
"number_observations": 4119,
"number_observations_unique": 1278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 4.130
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.223
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [3.470,3.350],
"number_observations": 4024,
"number_observations_unique": 1248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 5.080
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.224
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [3.600,3.470],
"number_observations": 3812,
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.209
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.750,3.600],
"number_observations": 3688,
"number_observations_unique": 1148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 6.290
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.213
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.910,3.750],
"number_observations": 3529,
"number_observations_unique": 1102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 6.920
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.202
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [4.100,3.910],
"number_observations": 3378,
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 7.780
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.163
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [4.320,4.100],
"number_observations": 3136,
"number_observations_unique": 1016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 9.140
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.087
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.590,4.320],
"number_observations": 2856,
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 9.850
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.022
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.900,4.590],
"number_observations": 2618,
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.968
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [5.300,4.900],
"number_observations": 2237,
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.660
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [5.800,5.300],
"number_observations": 2295,
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.044
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [6.490,5.800],
"number_observations": 2043,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.931
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [7.490,6.490],
"number_observations": 2047,
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 10.090
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.296
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [9.170,7.490],
"number_observations": 1719,
"number_observations_unique": 531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 12.750
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.237
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [12.970,9.170],
"number_observations": 1333,
"number_observations_unique": 417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 14.770
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.197
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [48.930,12.970],
"number_observations": 676,
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 13.210
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 2.889
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}