Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5b4491f3f35164bd6626b34d980d772",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.65,
"b": 75.97,
"c": 120.33,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.165,2.300],
"number_observations": 105812,
"number_observations_unique": 32350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 7.310
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.271
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 8207,
"number_observations_unique": 2417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.582
},
{
"type": "I/SigI",
"value": 2.540
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.396
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations": 7873,
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.568
},
{
"type": "I/SigI",
"value": 2.650
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.360
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations": 7762,
"number_observations_unique": 2287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "R(meas)",
"value": 0.523
},
{
"type": "I/SigI",
"value": 2.910
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.394
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations": 7428,
"number_observations_unique": 2231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 3.520
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.329
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 7086,
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations": 6385,
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 4.440
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.059
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations": 5772,
"number_observations_unique": 1961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.943
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.970,2.850],
"number_observations": 6774,
"number_observations_unique": 1964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 6.310
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.449
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.100,2.970],
"number_observations": 6189,
"number_observations_unique": 1807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 7.240
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.425
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.250,3.100],
"number_observations": 6014,
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 8.540
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.396
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.430,3.250],
"number_observations": 5509,
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 9.980
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.260
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.640,3.430],
"number_observations": 5125,
"number_observations_unique": 1564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 11.150
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.277
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.890,3.640],
"number_observations": 4476,
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 11.550
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.091
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.200,3.890],
"number_observations": 3681,
"number_observations_unique": 1329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 11.680
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.770
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.600,4.200],
"number_observations": 4336,
"number_observations_unique": 1272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 14.070
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.409
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.140,4.600],
"number_observations": 3850,
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 14.130
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.336
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.940,5.140],
"number_observations": 3421,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 14.070
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.370
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [7.270,5.940],
"number_observations": 2628,
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 13.460
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.136
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [10.290,7.270],
"number_observations": 2059,
"number_observations_unique": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 14.590
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.092
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [47.165,10.290],
"number_observations": 1237,
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.446
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}