Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a004a4522a7df410d2baa987b33affbe",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 103.29,
"b": 67.56,
"c": 73.32,
"alpha": 90.00,
"beta": 118.82,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.247,2.000],
"number_observations": 121457,
"number_observations_unique": 29874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 15.570
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.066
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 2202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "I/SigI",
"value": 2.220
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.592
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "R(meas)",
"value": 0.476
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.913
},
{
"type": "CC(1/2)",
"value": 0.809
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations_unique": 2094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.217
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations_unique": 2007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.416
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.310,2.240],
"number_observations_unique": 1918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 5.830
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.595
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations_unique": 1935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 6.440
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.959
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 1839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 7.210
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.493
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 8.870
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.614
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 1703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 11.170
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.645
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.830,2.700],
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 13.210
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.655
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.980,2.830],
"number_observations_unique": 1537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 16.330
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.697
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 18.960
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.651
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations_unique": 1385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 24.890
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.692
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations_unique": 1287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 33.360
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.685
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.650],
"number_observations_unique": 1184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 36.950
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.613
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.470,4.000],
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 44.760
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.611
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.160,4.470],
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 45.580
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.645
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.320,5.160],
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 36.060
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.671
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.940,6.320],
"number_observations_unique": 629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 45.510
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.603
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.247,8.940],
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 57.920
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.303
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}